benzyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]propanoate

C24H19ClN2O3 — CID 23937732

IUPACbenzyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]propanoate
SMILESCC(C(=O)OCc1ccccc1)n1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C24H19ClN2O3/c1-16(24(29)30-15-17-7-3-2-4-8-17)27-22(18-11-13-19(25)14-12-18)26-21-10-6-5-9-20(21)23(27)28/h2-14,16H,15H2,1H3
InChIKeySGBZELPVUIFGTD-UHFFFAOYSA-N
MW418.88 g/mol
LogP5.02
Rot. Bonds5

About benzyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]propanoate

benzyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]propanoate (PubChem CID 23937732) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is benzyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]propanoate.

Molecular Properties

Compound Namebenzyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]propanoate
PubChem CID23937732
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC Namebenzyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]propanoate
SMILESCC(C(=O)OCc1ccccc1)n1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C24H19ClN2O3/c1-16(24(29)30-15-17-7-3-2-4-8-17)27-22(18-11-13-19(25)14-12-18)26-21-10-6-5-9-20(21)23(27)28/h2-14,16H,15H2,1H3
InChIKeySGBZELPVUIFGTD-UHFFFAOYSA-N
XLogP5.02
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate
CID 23878226
3-[(4-chlorophenyl)methoxy]-2-phenylquinazolin-4-one
CID 3774397
ethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate
CID 23762682
ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate
CID 23794369
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid
CID 142760440
N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide
CID 23740001
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
3-(2-bromoethyl)-2-(4-chlorophenyl)quinazolin-4-one
CID 18315900
2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide
CID 43022874
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-oxo-2-phenylquinazolin-3-yl)propanamide
CID 135955287
2-[(4-chlorophenyl)methylsulfanyl]-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one
CID 2521731

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]propanoate?
The IUPAC name of benzyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]propanoate (CID 23937732) is benzyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]propanoate.
What is the SMILES notation for benzyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]propanoate?
The canonical SMILES for benzyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]propanoate is CC(C(=O)OCc1ccccc1)n1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O.
What is the InChIKey of benzyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]propanoate?
The InChIKey is SGBZELPVUIFGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-16(24(29)30-15-17-7-3-2-4-8-17)27-22(18-11-13-19(25)14-12-18)26-21-10-6-5-9-20(21)23(27)28/h2-14,16H,15H2,1H3.
What are the key properties of benzyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]propanoate?
benzyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]propanoate has a molecular weight of 418.88 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]propanoate is sourced from PubChem (CID 23937732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).