4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid

C22H18N2O3 — CID 9006783

IUPAC4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
SMILESO=C(O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C22H18N2O3/c25-21-18-8-4-5-9-19(18)23-20(16-10-12-17(13-11-16)22(26)27)24(21)14-15-6-2-1-3-7-15/h1-13,20,23H,14H2,(H,26,27)/t20-/m1/s1
InChIKeySOFNDAODLAEYBG-HXUWFJFHSA-N
MW358.40 g/mol
LogP4.15
Rot. Bonds4

About 4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid

4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid (PubChem CID 9006783) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
PubChem CID9006783
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
SMILESO=C(O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C22H18N2O3/c25-21-18-8-4-5-9-19(18)23-20(16-10-12-17(13-11-16)22(26)27)24(21)14-15-6-2-1-3-7-15/h1-13,20,23H,14H2,(H,26,27)/t20-/m1/s1
InChIKeySOFNDAODLAEYBG-HXUWFJFHSA-N
XLogP4.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate
CID 9006782
3-benzyl-2-(4-phenylphenyl)-1,2-dihydroquinazolin-4-one
CID 58895109
(2R)-3-benzyl-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 9006737
4-[(2S)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 9007070
3-benzyl-2-[4-(2-methylprop-2-enoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780093
(2S)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,2-dihydroquinazolin-4-one
CID 41064218
(2S)-3-benzyl-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
CID 9006718
2-[4-[(2S)-3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid
CID 9006605
(2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006820
3-benzyl-2-[4-(3-methylbutoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54779649
4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 43000917
3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 563542

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid?
The IUPAC name of 4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid (CID 9006783) is 4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid.
What is the SMILES notation for 4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid?
The canonical SMILES for 4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid is O=C(O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid?
The InChIKey is SOFNDAODLAEYBG-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-21-18-8-4-5-9-19(18)23-20(16-10-12-17(13-11-16)22(26)27)24(21)14-15-6-2-1-3-7-15/h1-13,20,23H,14H2,(H,26,27)/t20-/m1/s1.
What are the key properties of 4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid?
4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid has a molecular weight of 358.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid is sourced from PubChem (CID 9006783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).