5-chloro-6-cyclopropyl-2-methyl-3-phenylquinazolin-4-one

C18H15ClN2O — CID 175045134

IUPAC5-chloro-6-cyclopropyl-2-methyl-3-phenylquinazolin-4-one
SMILESCc1nc2ccc(C3CC3)c(Cl)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C18H15ClN2O/c1-11-20-15-10-9-14(12-7-8-12)17(19)16(15)18(22)21(11)13-5-3-2-4-6-13/h2-6,9-10,12H,7-8H2,1H3
InChIKeyHGHADTOQBKMFHO-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.22
Rot. Bonds2

About 5-chloro-6-cyclopropyl-2-methyl-3-phenylquinazolin-4-one

5-chloro-6-cyclopropyl-2-methyl-3-phenylquinazolin-4-one (PubChem CID 175045134) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 5-chloro-6-cyclopropyl-2-methyl-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name5-chloro-6-cyclopropyl-2-methyl-3-phenylquinazolin-4-one
PubChem CID175045134
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name5-chloro-6-cyclopropyl-2-methyl-3-phenylquinazolin-4-one
SMILESCc1nc2ccc(C3CC3)c(Cl)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C18H15ClN2O/c1-11-20-15-10-9-14(12-7-8-12)17(19)16(15)18(22)21(11)13-5-3-2-4-6-13/h2-6,9-10,12H,7-8H2,1H3
InChIKeyHGHADTOQBKMFHO-UHFFFAOYSA-N
XLogP4.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3,6-diphenylquinazolin-4-one
CID 155516068
3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one
CID 3031678
3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one
CID 823527
2,5-dimethyl-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 14615882
3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one
CID 172568153
2,5,6-trimethyl-3-(4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 14118251
2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one
CID 154123785
2,5,7-trimethyl-3-phenylpyrido[2,3-d]pyrimidin-4-one
CID 134914470
3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one
CID 3031710
3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one
CID 126769930
3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylquinazolin-4-one
CID 127257164
3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride
CID 165362442

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-cyclopropyl-2-methyl-3-phenylquinazolin-4-one?
The IUPAC name of 5-chloro-6-cyclopropyl-2-methyl-3-phenylquinazolin-4-one (CID 175045134) is 5-chloro-6-cyclopropyl-2-methyl-3-phenylquinazolin-4-one.
What is the SMILES notation for 5-chloro-6-cyclopropyl-2-methyl-3-phenylquinazolin-4-one?
The canonical SMILES for 5-chloro-6-cyclopropyl-2-methyl-3-phenylquinazolin-4-one is Cc1nc2ccc(C3CC3)c(Cl)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 5-chloro-6-cyclopropyl-2-methyl-3-phenylquinazolin-4-one?
The InChIKey is HGHADTOQBKMFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c1-11-20-15-10-9-14(12-7-8-12)17(19)16(15)18(22)21(11)13-5-3-2-4-6-13/h2-6,9-10,12H,7-8H2,1H3.
What are the key properties of 5-chloro-6-cyclopropyl-2-methyl-3-phenylquinazolin-4-one?
5-chloro-6-cyclopropyl-2-methyl-3-phenylquinazolin-4-one has a molecular weight of 310.78 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-cyclopropyl-2-methyl-3-phenylquinazolin-4-one is sourced from PubChem (CID 175045134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).