3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one

C17H15ClN2O2 — CID 38778947

IUPAC3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1C[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-11-19-15-5-3-2-4-14(15)17(22)20(11)10-16(21)12-6-8-13(18)9-7-12/h2-9,16,21H,10H2,1H3/t16-/m1/s1
InChIKeyXTMQXYGOVCDXDE-MRXNPFEDSA-N
MW314.77 g/mol
LogP3.09
Rot. Bonds3

About 3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one

3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one (PubChem CID 38778947) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one
PubChem CID38778947
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1C[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-11-19-15-5-3-2-4-14(15)17(22)20(11)10-16(21)12-6-8-13(18)9-7-12/h2-9,16,21H,10H2,1H3/t16-/m1/s1
InChIKeyXTMQXYGOVCDXDE-MRXNPFEDSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylquinazolin-4-one
CID 94796342
3-(2-hydroxybutyl)-2-methylquinazolin-4-one
CID 154753235
3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one
CID 47053259
3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-chlorophenyl)sulfanylacetate
CID 30339679
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinazolin-4-one
CID 47556817
N-benzyl-2-[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
CID 25369283
3-(2-bromoethyl)-2-(4-chlorophenyl)quinazolin-4-one
CID 18315900
2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]propanoic acid
CID 21004528
3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-methylquinazolin-4-one
CID 42952061
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-methylquinazolin-4-one
CID 110885773
2-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983579

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one (CID 38778947) is 3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1C[C@@H](O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one?
The InChIKey is XTMQXYGOVCDXDE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11-19-15-5-3-2-4-14(15)17(22)20(11)10-16(21)12-6-8-13(18)9-7-12/h2-9,16,21H,10H2,1H3/t16-/m1/s1.
What are the key properties of 3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one?
3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one has a molecular weight of 314.77 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 38778947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).