2-(2-chlorophenyl)-6,8-dimethylquinazoline-4-carboxamide

C17H14ClN3O — CID 177319660

IUPAC2-(2-chlorophenyl)-6,8-dimethylquinazoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccccc3Cl)nc(C(N)=O)c2c1
InChIInChI=1S/C17H14ClN3O/c1-9-7-10(2)14-12(8-9)15(16(19)22)21-17(20-14)11-5-3-4-6-13(11)18/h3-8H,1-2H3,(H2,19,22)
InChIKeyPSSUDNYUHJMWPX-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.67
Rot. Bonds2

About 2-(2-chlorophenyl)-6,8-dimethylquinazoline-4-carboxamide

2-(2-chlorophenyl)-6,8-dimethylquinazoline-4-carboxamide (PubChem CID 177319660) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6,8-dimethylquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6,8-dimethylquinazoline-4-carboxamide
PubChem CID177319660
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name2-(2-chlorophenyl)-6,8-dimethylquinazoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccccc3Cl)nc(C(N)=O)c2c1
InChIInChI=1S/C17H14ClN3O/c1-9-7-10(2)14-12(8-9)15(16(19)22)21-17(20-14)11-5-3-4-6-13(11)18/h3-8H,1-2H3,(H2,19,22)
InChIKeyPSSUDNYUHJMWPX-UHFFFAOYSA-N
XLogP3.67
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)-6,8-dimethylquinoline-2-carboxylic acid
CID 19788037
6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid
CID 177320141
4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline
CID 114590401
2-(2-chlorophenyl)-N-[4-(2-hydroxyprop-2-enylcarbamoyl)phenyl]-6,8-dimethylquinoline-4-carboxamide
CID 177319795
4-chloro-2-(4-fluoro-2-methylphenyl)-6,8-dimethylquinazoline
CID 114590385
2-(2-chlorophenyl)-6,8-dimethyl-N-[5-[2-(2-methyl-1,3-oxazol-5-yl)ethylcarbamoyl]-2-pyridinyl]quinoline-4-carboxamide
CID 177319702
2-(2-chlorophenyl)-6,8-dimethyl-N-[4-[3-(5-methyl-1,3-oxazol-2-yl)propylcarbamoyl]phenyl]quinoline-4-carboxamide
CID 177320262
5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 159026410
4,8-dichloro-6-methyl-2-(2-methylsulfanylphenyl)quinazoline
CID 114590827
(4-amino-6,8-dimethylcinnolin-3-yl)-phenylmethanone
CID 10912819
N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647473
2-(2-chlorophenyl)-6,8-dimethyl-N-[4-[[(E)-C-methyl-N-[(E)-3-methylbutan-2-ylideneamino]carbonimidoyl]carbamoyl]phenyl]quinoline-4-carboxamide
CID 177319891

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6,8-dimethylquinazoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-6,8-dimethylquinazoline-4-carboxamide (CID 177319660) is 2-(2-chlorophenyl)-6,8-dimethylquinazoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-6,8-dimethylquinazoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-6,8-dimethylquinazoline-4-carboxamide is Cc1cc(C)c2nc(-c3ccccc3Cl)nc(C(N)=O)c2c1.
What is the InChIKey of 2-(2-chlorophenyl)-6,8-dimethylquinazoline-4-carboxamide?
The InChIKey is PSSUDNYUHJMWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-9-7-10(2)14-12(8-9)15(16(19)22)21-17(20-14)11-5-3-4-6-13(11)18/h3-8H,1-2H3,(H2,19,22).
What are the key properties of 2-(2-chlorophenyl)-6,8-dimethylquinazoline-4-carboxamide?
2-(2-chlorophenyl)-6,8-dimethylquinazoline-4-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-6,8-dimethylquinazoline-4-carboxamide is sourced from PubChem (CID 177319660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).