4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]benzoate

C21H15N2O3- — CID 9006940

IUPAC4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]benzoate
SMILESO=C([O-])c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C21H16N2O3/c24-20-17-8-4-5-9-18(17)22-19(23(20)16-6-2-1-3-7-16)14-10-12-15(13-11-14)21(25)26/h1-13,19,22H,(H,25,26)/p-1/t19-/m0/s1
InChIKeyGZYZOGAIIGMPPP-IBGZPJMESA-M
MW343.36 g/mol
LogP2.82
Rot. Bonds3

About 4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]benzoate

4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]benzoate (PubChem CID 9006940) has the molecular formula C21H15N2O3- and a molecular weight of 343.36 g/mol. Its IUPAC name is 4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]benzoate.

Molecular Properties

Compound Name4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]benzoate
PubChem CID9006940
Molecular FormulaC21H15N2O3-
Molecular Weight343.36 g/mol
Exact Mass343.11
IUPAC Name4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]benzoate
SMILESO=C([O-])c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C21H16N2O3/c24-20-17-8-4-5-9-18(17)22-19(23(20)16-6-2-1-3-7-16)14-10-12-15(13-11-14)21(25)26/h1-13,19,22H,(H,25,26)/p-1/t19-/m0/s1
InChIKeyGZYZOGAIIGMPPP-IBGZPJMESA-M
XLogP2.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 43000917
4-[(2R)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate
CID 9006782
(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 7659372
(2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 9006944
(2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 804192
4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 17409789
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625
(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7331947
3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 3112058
2-[4-[(2S)-3-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate
CID 9007176
N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 41064100
(2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 125492451

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]benzoate?
The IUPAC name of 4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]benzoate (CID 9006940) is 4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]benzoate.
What is the SMILES notation for 4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]benzoate?
The canonical SMILES for 4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]benzoate is O=C([O-])c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1.
What is the InChIKey of 4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]benzoate?
The InChIKey is GZYZOGAIIGMPPP-IBGZPJMESA-M. The full InChI is InChI=1S/C21H16N2O3/c24-20-17-8-4-5-9-18(17)22-19(23(20)16-6-2-1-3-7-16)14-10-12-15(13-11-14)21(25)26/h1-13,19,22H,(H,25,26)/p-1/t19-/m0/s1.
What are the key properties of 4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]benzoate?
4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]benzoate has a molecular weight of 343.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]benzoate is sourced from PubChem (CID 9006940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).