(2R)-3-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one

C24H24N2O4 — CID 7027466

IUPAC(2R)-3-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1cc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C24H24N2O4/c1-15-8-7-9-17(12-15)26-23(25-19-11-6-5-10-18(19)24(26)27)16-13-20(28-2)22(30-4)21(14-16)29-3/h5-14,23,25H,1-4H3/t23-/m1/s1
InChIKeyQKPZMZNRHYBICF-HSZRJFAPSA-N
MW404.47 g/mol
LogP4.79
Rot. Bonds5

About (2R)-3-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one

(2R)-3-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 7027466) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is (2R)-3-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID7027466
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name(2R)-3-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1cc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C24H24N2O4/c1-15-8-7-9-17(12-15)26-23(25-19-11-6-5-10-18(19)24(26)27)16-13-20(28-2)22(30-4)21(14-16)29-3/h5-14,23,25H,1-4H3/t23-/m1/s1
InChIKeyQKPZMZNRHYBICF-HSZRJFAPSA-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)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1009267
(2R)-2-(2-hydroxy-3-methoxyphenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 9007882
(2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 1009074
(2S)-3-[(4-methylphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006565
(2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 1009305
(2S)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 40973072
(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
(2S)-3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131631
3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778763
(2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 92787600
(2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
CID 9006981

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 7027466) is (2R)-3-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)cc(OC)c1OC.
What is the InChIKey of (2R)-3-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is QKPZMZNRHYBICF-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-15-8-7-9-17(12-15)26-23(25-19-11-6-5-10-18(19)24(26)27)16-13-20(28-2)22(30-4)21(14-16)29-3/h5-14,23,25H,1-4H3/t23-/m1/s1.
What are the key properties of (2R)-3-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
(2R)-3-(3-methylphenyl)-2-(3,4,5-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 (2R)-3-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 7027466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).