(2S)-3-(4-methylphenyl)-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one

C24H24N2O4 — CID 9007422

IUPAC(2S)-3-(4-methylphenyl)-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)c(OC)c1OC
InChIInChI=1S/C24H24N2O4/c1-15-9-11-16(12-10-15)26-23(25-19-8-6-5-7-17(19)24(26)27)18-13-14-20(28-2)22(30-4)21(18)29-3/h5-14,23,25H,1-4H3/t23-/m0/s1
InChIKeyPKFOXGOUBDRPOR-QHCPKHFHSA-N
MW404.47 g/mol
LogP4.79
Rot. Bonds5

About (2S)-3-(4-methylphenyl)-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one

(2S)-3-(4-methylphenyl)-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 9007422) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is (2S)-3-(4-methylphenyl)-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-(4-methylphenyl)-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID9007422
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name(2S)-3-(4-methylphenyl)-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)c(OC)c1OC
InChIInChI=1S/C24H24N2O4/c1-15-9-11-16(12-10-15)26-23(25-19-8-6-5-7-17(19)24(26)27)18-13-14-20(28-2)22(30-4)21(18)29-3/h5-14,23,25H,1-4H3/t23-/m0/s1
InChIKeyPKFOXGOUBDRPOR-QHCPKHFHSA-N
XLogP4.79
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625
3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 3112058
(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7331947
(2R)-3-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 7027466
(2S)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1009267
3-(4-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,2-dihydroquinazolin-4-one
CID 2888286
(2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 9007882
2-(3-bromo-2-methoxyphenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687519
2-(5-bromo-2,4-dimethoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 3159958
(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 712104
(2S)-3-[[(2R)-oxolan-2-yl]methyl]-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 26638808
2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3846487

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-methylphenyl)-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-(4-methylphenyl)-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 9007422) is (2S)-3-(4-methylphenyl)-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-(4-methylphenyl)-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-(4-methylphenyl)-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)c(OC)c1OC.
What is the InChIKey of (2S)-3-(4-methylphenyl)-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is PKFOXGOUBDRPOR-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-15-9-11-16(12-10-15)26-23(25-19-8-6-5-7-17(19)24(26)27)18-13-14-20(28-2)22(30-4)21(18)29-3/h5-14,23,25H,1-4H3/t23-/m0/s1.
What are the key properties of (2S)-3-(4-methylphenyl)-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
(2S)-3-(4-methylphenyl)-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 404.47 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-methylphenyl)-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9007422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).