(2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one

C23H22N2O3 — CID 9006820

IUPAC(2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1cc(OC)cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C23H22N2O3/c1-27-18-12-17(13-19(14-18)28-2)22-24-21-11-7-6-10-20(21)23(26)25(22)15-16-8-4-3-5-9-16/h3-14,22,24H,15H2,1-2H3/t22-/m1/s1
InChIKeyLDYBFHAEJAVSPP-JOCHJYFZSA-N
MW374.44 g/mol
LogP4.47
Rot. Bonds5

About (2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one

(2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 9006820) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID9006820
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1cc(OC)cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C23H22N2O3/c1-27-18-12-17(13-19(14-18)28-2)22-24-21-11-7-6-10-20(21)23(26)25(22)15-16-8-4-3-5-9-16/h3-14,22,24H,15H2,1-2H3/t22-/m1/s1
InChIKeyLDYBFHAEJAVSPP-JOCHJYFZSA-N
XLogP4.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 563542
(2S)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,2-dihydroquinazolin-4-one
CID 41064218
(2S)-2-(3,5-dimethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,2-dihydroquinazolin-4-one
CID 9007084
3-benzyl-2-(3-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779605
(2S)-3-[(4-methylphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006565
3-benzyl-2-(4-phenylphenyl)-1,2-dihydroquinazolin-4-one
CID 58895109
3-benzyl-2-[4-(2-methylprop-2-enoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780093
3-benzyl-2-[4-(3-methylbutoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54779649
(2S)-3-benzyl-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
CID 9006718
4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 9006783
2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 51172490
(2S)-3-benzyl-2-(4,5-dimethoxy-2-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011827

Frequently Asked Questions

What is the IUPAC name of (2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 9006820) is (2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1cc(OC)cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c1.
What is the InChIKey of (2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is LDYBFHAEJAVSPP-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-27-18-12-17(13-19(14-18)28-2)22-24-21-11-7-6-10-20(21)23(26)25(22)15-16-8-4-3-5-9-16/h3-14,22,24H,15H2,1-2H3/t22-/m1/s1.
What are the key properties of (2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
(2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 374.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9006820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).