6-chloro-3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one

C17H13ClN2O2 — CID 51056181

IUPAC6-chloro-3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one
SMILESCC(C(=O)c1ccccc1)n1cnc2ccc(Cl)cc2c1=O
InChIInChI=1S/C17H13ClN2O2/c1-11(16(21)12-5-3-2-4-6-12)20-10-19-15-8-7-13(18)9-14(15)17(20)22/h2-11H,1H3
InChIKeySJUJPWRKFFLTJW-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.49
Rot. Bonds3

About 6-chloro-3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one

6-chloro-3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one (PubChem CID 51056181) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 6-chloro-3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one
PubChem CID51056181
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name6-chloro-3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one
SMILESCC(C(=O)c1ccccc1)n1cnc2ccc(Cl)cc2c1=O
InChIInChI=1S/C17H13ClN2O2/c1-11(16(21)12-5-3-2-4-6-12)20-10-19-15-8-7-13(18)9-14(15)17(20)22/h2-11H,1H3
InChIKeySJUJPWRKFFLTJW-UHFFFAOYSA-N
XLogP3.49
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminoethyl)-6-chloroquinazolin-4-one
CID 117264019
(2S)-2-(4-oxoquinazolin-3-yl)propanoic acid
CID 771110
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 7488456
1-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)propan-1-one
CID 62349880
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 8607668
N-(2,4-dichlorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 4906801
N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 2918932
3-(1-oxo-1-phenylpropan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 20999033
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 3150564
(2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7708724
(2S)-N-(4-chlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7633398
(2S)-N-(3-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 7581019

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one?
The IUPAC name of 6-chloro-3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one (CID 51056181) is 6-chloro-3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one?
The canonical SMILES for 6-chloro-3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one is CC(C(=O)c1ccccc1)n1cnc2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one?
The InChIKey is SJUJPWRKFFLTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-11(16(21)12-5-3-2-4-6-12)20-10-19-15-8-7-13(18)9-14(15)17(20)22/h2-11H,1H3.
What are the key properties of 6-chloro-3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one?
6-chloro-3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one has a molecular weight of 312.76 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one is sourced from PubChem (CID 51056181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).