(2S)-2-(3-hydroxy-4-methoxyphenyl)-3,5-dimethyl-1,2-dihydroquinazolin-4-one

C17H18N2O3 — CID 95157744

IUPAC(2S)-2-(3-hydroxy-4-methoxyphenyl)-3,5-dimethyl-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc([C@H]2Nc3cccc(C)c3C(=O)N2C)cc1O
InChIInChI=1S/C17H18N2O3/c1-10-5-4-6-12-15(10)17(21)19(2)16(18-12)11-7-8-14(22-3)13(20)9-11/h4-9,16,18,20H,1-3H3/t16-/m0/s1
InChIKeyQNRRQRMHEXBCIY-INIZCTEOSA-N
MW298.34 g/mol
LogP2.91
Rot. Bonds2

About (2S)-2-(3-hydroxy-4-methoxyphenyl)-3,5-dimethyl-1,2-dihydroquinazolin-4-one

(2S)-2-(3-hydroxy-4-methoxyphenyl)-3,5-dimethyl-1,2-dihydroquinazolin-4-one (PubChem CID 95157744) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2S)-2-(3-hydroxy-4-methoxyphenyl)-3,5-dimethyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(3-hydroxy-4-methoxyphenyl)-3,5-dimethyl-1,2-dihydroquinazolin-4-one
PubChem CID95157744
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(2S)-2-(3-hydroxy-4-methoxyphenyl)-3,5-dimethyl-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc([C@H]2Nc3cccc(C)c3C(=O)N2C)cc1O
InChIInChI=1S/C17H18N2O3/c1-10-5-4-6-12-15(10)17(21)19(2)16(18-12)11-7-8-14(22-3)13(20)9-11/h4-9,16,18,20H,1-3H3/t16-/m0/s1
InChIKeyQNRRQRMHEXBCIY-INIZCTEOSA-N
XLogP2.91
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(3-hydroxy-4-methoxyphenyl)-3,5-dimethyl-1,2-dihydroquinazolin-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

(2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007456
(2S)-3-(4-fluorophenyl)-2-(3-hydroxy-4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007309
2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 46613480
5-[(6S)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-2-methoxyphenol
CID 135904843
2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-1,2-dihydroquinazolin-4-one
CID 54779970
(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 743586
5-(1,3-dimethyl-2H-benzimidazol-2-yl)-2-methoxyphenol
CID 914373
5-(3-hydroxy-4-methoxyphenyl)-1,3-dimethylimidazolidine-2,4-dione
CID 82119257
2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 54778229
2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 23819494
2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one
CID 3415932
(2R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 32608981

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-hydroxy-4-methoxyphenyl)-3,5-dimethyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(3-hydroxy-4-methoxyphenyl)-3,5-dimethyl-1,2-dihydroquinazolin-4-one (CID 95157744) is (2S)-2-(3-hydroxy-4-methoxyphenyl)-3,5-dimethyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(3-hydroxy-4-methoxyphenyl)-3,5-dimethyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(3-hydroxy-4-methoxyphenyl)-3,5-dimethyl-1,2-dihydroquinazolin-4-one is COc1ccc([C@H]2Nc3cccc(C)c3C(=O)N2C)cc1O.
What is the InChIKey of (2S)-2-(3-hydroxy-4-methoxyphenyl)-3,5-dimethyl-1,2-dihydroquinazolin-4-one?
The InChIKey is QNRRQRMHEXBCIY-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-10-5-4-6-12-15(10)17(21)19(2)16(18-12)11-7-8-14(22-3)13(20)9-11/h4-9,16,18,20H,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-2-(3-hydroxy-4-methoxyphenyl)-3,5-dimethyl-1,2-dihydroquinazolin-4-one?
(2S)-2-(3-hydroxy-4-methoxyphenyl)-3,5-dimethyl-1,2-dihydroquinazolin-4-one has a molecular weight of 298.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-hydroxy-4-methoxyphenyl)-3,5-dimethyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 95157744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).