(2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one

C22H20N2O3 — CID 9007882

IUPAC(2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)c1O
InChIInChI=1S/C22H20N2O3/c1-14-7-5-8-15(13-14)24-21(17-10-6-12-19(27-2)20(17)25)23-18-11-4-3-9-16(18)22(24)26/h3-13,21,23,25H,1-2H3/t21-/m1/s1
InChIKeyPQPIANYXUIRRBB-OAQYLSRUSA-N
MW360.41 g/mol
LogP4.48
Rot. Bonds3

About (2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one

(2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 9007882) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID9007882
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name(2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)c1O
InChIInChI=1S/C22H20N2O3/c1-14-7-5-8-15(13-14)24-21(17-10-6-12-19(27-2)20(17)25)23-18-11-4-3-9-16(18)22(24)26/h3-13,21,23,25H,1-2H3/t21-/m1/s1
InChIKeyPQPIANYXUIRRBB-OAQYLSRUSA-N
XLogP4.48
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 7027466
(2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 1009305
3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3245937
(2R)-2-(2,3-dihydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007460
(2R)-3-(3-methylphenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011989
(2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009021
(2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006434
(2S)-3-(4-methylphenyl)-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007422
2-(5-bromo-2,4-dimethoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 3159958
(2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 1009074
2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3846487
(2S)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 40973072

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one (CID 9007882) is (2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one is COc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)c1O.
What is the InChIKey of (2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is PQPIANYXUIRRBB-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-14-7-5-8-15(13-14)24-21(17-10-6-12-19(27-2)20(17)25)23-18-11-4-3-9-16(18)22(24)26/h3-13,21,23,25H,1-2H3/t21-/m1/s1.
What are the key properties of (2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one?
(2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 360.41 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9007882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).