(2S)-2-(1-benzofuran-2-yl)-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one

C24H20N2O2 — CID 2501132

IUPAC(2S)-2-(1-benzofuran-2-yl)-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one
SMILESCc1ccc(N2C(=O)c3ccccc3N[C@]2(C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C24H20N2O2/c1-16-11-13-18(14-12-16)26-23(27)19-8-4-5-9-20(19)25-24(26,2)22-15-17-7-3-6-10-21(17)28-22/h3-15,25H,1-2H3/t24-/m0/s1
InChIKeyUFFUHVUPUYZKNM-DEOSSOPVSA-N
MW368.44 g/mol
LogP5.69
Rot. Bonds2

About (2S)-2-(1-benzofuran-2-yl)-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one

(2S)-2-(1-benzofuran-2-yl)-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one (PubChem CID 2501132) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is (2S)-2-(1-benzofuran-2-yl)-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(1-benzofuran-2-yl)-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one
PubChem CID2501132
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name(2S)-2-(1-benzofuran-2-yl)-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one
SMILESCc1ccc(N2C(=O)c3ccccc3N[C@]2(C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C24H20N2O2/c1-16-11-13-18(14-12-16)26-23(27)19-8-4-5-9-20(19)25-24(26,2)22-15-17-7-3-6-10-21(17)28-22/h3-15,25H,1-2H3/t24-/m0/s1
InChIKeyUFFUHVUPUYZKNM-DEOSSOPVSA-N
XLogP5.69
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-ethyl-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one
CID 29102767
(2S)-3-(3-chloro-4-methylphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one
CID 919493
(2S)-2-(chloromethyl)-3-(4-chlorophenyl)-2-methyl-1H-quinazolin-4-one
CID 6930585
3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one
CID 54778482
(2R)-3-(4-ethoxyphenyl)-2-ethyl-2-methyl-1H-quinazolin-4-one
CID 703738
3'-(4-methoxyphenyl)-5,7-dimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 47006441
(5S)-5-(1-benzofuran-2-yl)-3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41088212
5-(1-benzofuran-2-yl)-3-[2-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 22107875
5-(1-benzofuran-2-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
CID 55435865
(2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 1045960
2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 3115659
2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole
CID 90119948

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-benzofuran-2-yl)-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one?
The IUPAC name of (2S)-2-(1-benzofuran-2-yl)-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one (CID 2501132) is (2S)-2-(1-benzofuran-2-yl)-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one.
What is the SMILES notation for (2S)-2-(1-benzofuran-2-yl)-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one?
The canonical SMILES for (2S)-2-(1-benzofuran-2-yl)-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one is Cc1ccc(N2C(=O)c3ccccc3N[C@]2(C)c2cc3ccccc3o2)cc1.
What is the InChIKey of (2S)-2-(1-benzofuran-2-yl)-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one?
The InChIKey is UFFUHVUPUYZKNM-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-16-11-13-18(14-12-16)26-23(27)19-8-4-5-9-20(19)25-24(26,2)22-15-17-7-3-6-10-21(17)28-22/h3-15,25H,1-2H3/t24-/m0/s1.
What are the key properties of (2S)-2-(1-benzofuran-2-yl)-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one?
(2S)-2-(1-benzofuran-2-yl)-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one has a molecular weight of 368.44 g/mol, XLogP of 5.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-benzofuran-2-yl)-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one is sourced from PubChem (CID 2501132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).