7-chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one

C17H16ClN3O — CID 166627659

IUPAC7-chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one
SMILESCCN(C)c1nc(=O)n(-c2ccccc2)c2cc(Cl)ccc12
InChIInChI=1S/C17H16ClN3O/c1-3-20(2)16-14-10-9-12(18)11-15(14)21(17(22)19-16)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyUMSBLTPKMWVNEW-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.50
Rot. Bonds3

About 7-chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one

7-chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one (PubChem CID 166627659) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 7-chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one.

Molecular Properties

Compound Name7-chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one
PubChem CID166627659
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name7-chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one
SMILESCCN(C)c1nc(=O)n(-c2ccccc2)c2cc(Cl)ccc12
InChIInChI=1S/C17H16ClN3O/c1-3-20(2)16-14-10-9-12(18)11-15(14)21(17(22)19-16)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyUMSBLTPKMWVNEW-UHFFFAOYSA-N
XLogP3.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one
CID 150331522
MAT2A inhibitor 3
CID 150703860
7-Chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one
CID 155899145
7-Chloro-4-(dimethylamino)quinazolin-2-ol
CID 133054303
7-Chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one
CID 155899144
3-butyl-10-(4-chlorophenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
CID 1779137
7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one
CID 166629570
{3-Chloro-4-[1,2-dihydro-9H-pyrrolo[2,1-b]quinazolin-(3E)-ylidenemethyl]-phenyl}-dimethyl-amine
CID 44391307
8-Bromo-1-(3-chloro-2-fluorophenyl)-6-(4-chlorophenyl)-7-propan-2-yl-5,6-dihydropurin-2-one
CID 139267857
7-chloro-5-fluoro-4-(methylamino)-1-phenyl-quinazolin-2(1H)-one
CID 149637393
4-(dimethylamino)-7-fluoro-1-phenyl-quinazolin-2(1H)-one
CID 150172604
7-Chloro-4-(cyclopropylmethylamino)-1-(3-fluorophenyl)hydroquinazolin-2-one
CID 150174446

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one?
The IUPAC name of 7-chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one (CID 166627659) is 7-chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one.
What is the SMILES notation for 7-chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one?
The canonical SMILES for 7-chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one is CCN(C)c1nc(=O)n(-c2ccccc2)c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one?
The InChIKey is UMSBLTPKMWVNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-3-20(2)16-14-10-9-12(18)11-15(14)21(17(22)19-16)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3.
What are the key properties of 7-chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one?
7-chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one has a molecular weight of 313.79 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one is sourced from PubChem (CID 166627659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).