DS-6051

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2,4-dichloroquinazoline-6-carboxylate

2.1.2 InChI

InChI=1S/C11H8Cl2N2O2/c1-2-17-10(16)6-3-4-8-7(5-6)9(12)15-11(13)14-8/h3-5H,2H2,1H3

2.1.3 InChI Key

DYFXWHCPIGOMPA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2Cl)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1841081-27-3

2. Mfcd27922743

3. Zinc95830219

4. Akos022173944

5. Ethyl2,4-dichloroquinazoline-6-carboxylate

6. Cs-0088923

7. C73545

8. A921526

2.3 Create Date

2013-09-27

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₈Cl₂N₂O₂
Molecular Weight	271.10 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	269.9962829 g/mol
Monoisotopic Mass	269.9962829 g/mol
Topological Polar Surface Area	52.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	291
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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