2-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]benzoic acid

C28H22N2O3 — CID 126348937

IUPAC2-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]benzoic acid
SMILESO=C(O)c1ccccc1[C@@H]1N(Cc2ccccc2)c2ccccc2C(=O)N1c1ccccc1
InChIInChI=1S/C28H22N2O3/c31-27-24-17-9-10-18-25(24)29(19-20-11-3-1-4-12-20)26(30(27)21-13-5-2-6-14-21)22-15-7-8-16-23(22)28(32)33/h1-18,26H,19H2,(H,32,33)/t26-/m1/s1
InChIKeyFKQZQBGIIGKHTL-AREMUKBSSA-N
MW434.50 g/mol
LogP5.75
Rot. Bonds5

About 2-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]benzoic acid

2-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]benzoic acid (PubChem CID 126348937) has the molecular formula C28H22N2O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]benzoic acid
PubChem CID126348937
Molecular FormulaC28H22N2O3
Molecular Weight434.50 g/mol
Exact Mass434.16
IUPAC Name2-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]benzoic acid
SMILESO=C(O)c1ccccc1[C@@H]1N(Cc2ccccc2)c2ccccc2C(=O)N1c1ccccc1
InChIInChI=1S/C28H22N2O3/c31-27-24-17-9-10-18-25(24)29(19-20-11-3-1-4-12-20)26(30(27)21-13-5-2-6-14-21)22-15-7-8-16-23(22)28(32)33/h1-18,26H,19H2,(H,32,33)/t26-/m1/s1
InChIKeyFKQZQBGIIGKHTL-AREMUKBSSA-N
XLogP5.75
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-benzyl-2-(3,4-dichlorophenyl)-3-phenyl-2H-quinazolin-4-one
CID 126346502
(2R)-1-benzyl-3-(4-methylphenyl)-2-(2-prop-2-enoxyphenyl)-2H-quinazolin-4-one
CID 126175982
N-benzyl-2-[4-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]phenoxy]acetamide
CID 126358405
methyl 4-[(2R)-1-benzyl-3-(4-methylphenyl)-4-oxo-2H-quinazolin-2-yl]benzoate
CID 126174117
[4-[(2R)-1-benzyl-3-(4-methylphenyl)-4-oxo-2H-quinazolin-2-yl]phenyl] benzoate
CID 126187977
(2S)-1-benzyl-3-phenyl-2-[4-(thietan-3-yloxy)phenyl]-2H-quinazolin-4-one
CID 126345823
(2S)-1-benzyl-3-(4-methylphenyl)-2-(4-propan-2-ylphenyl)-2H-quinazolin-4-one
CID 126185855
methyl 2-[4-[(2S)-1-benzyl-3-(4-methylphenyl)-4-oxo-2H-quinazolin-2-yl]phenoxy]acetate
CID 126176054
(2R)-1-benzyl-2-(3-methoxyphenyl)-3-(4-methylphenyl)-2H-quinazolin-4-one
CID 126183550
(6aR)-6-[(4-chlorophenyl)methyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 139181842
methyl 2-[(E)-2-[1-benzyl-3-(4-methylphenyl)-4-oxo-2H-quinazolin-2-yl]ethenyl]benzoate
CID 11156031
2-[(6aR)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]acetic acid
CID 99963175

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]benzoic acid?
The IUPAC name of 2-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]benzoic acid (CID 126348937) is 2-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]benzoic acid.
What is the SMILES notation for 2-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]benzoic acid?
The canonical SMILES for 2-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]benzoic acid is O=C(O)c1ccccc1[C@@H]1N(Cc2ccccc2)c2ccccc2C(=O)N1c1ccccc1.
What is the InChIKey of 2-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]benzoic acid?
The InChIKey is FKQZQBGIIGKHTL-AREMUKBSSA-N. The full InChI is InChI=1S/C28H22N2O3/c31-27-24-17-9-10-18-25(24)29(19-20-11-3-1-4-12-20)26(30(27)21-13-5-2-6-14-21)22-15-7-8-16-23(22)28(32)33/h1-18,26H,19H2,(H,32,33)/t26-/m1/s1.
What are the key properties of 2-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]benzoic acid?
2-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]benzoic acid has a molecular weight of 434.50 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-benzyl-4-oxo-3-phenyl-2H-quinazolin-2-yl]benzoic acid is sourced from PubChem (CID 126348937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).