(4-phenylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate

C24H20N2O3 — CID 135512270

IUPAC(4-phenylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H20N2O3/c27-23(15-14-22-25-21-9-5-4-8-20(21)24(28)26-22)29-16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13H,14-16H2,(H,25,26,28)
InChIKeyLUVDNTQKLZLQDA-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.27
Rot. Bonds6

About (4-phenylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate

(4-phenylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate (PubChem CID 135512270) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is (4-phenylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
PubChem CID135512270
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name(4-phenylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H20N2O3/c27-23(15-14-22-25-21-9-5-4-8-20(21)24(28)26-22)29-16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13H,14-16H2,(H,25,26,28)
InChIKeyLUVDNTQKLZLQDA-UHFFFAOYSA-N
XLogP4.27
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyl N-{[4-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)phenyl]methyl}carbamate
CID 135566971
methyl 4-[(E)-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]benzoate
CID 135681156
4-[(E)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]benzoic acid
CID 135681222
Methyl 2-(chloromethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
CID 135520070
benzyl N-[[4-(8-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]carbamate
CID 136215774
6-fluoro-2-{4-[1-(2-hydroxy-ethoxy)-1-methyl-ethyl]-phenyl}-3H-quinazolin-4-one
CID 136236977
6-fluoro-2-[4-[2-(2-methoxyethoxy)propan-2-yl]phenyl]-3H-quinazolin-4-one
CID 136236978
Methyl 4-(4-oxo-3,4-dihydroquinazolin-2-YL)benzoate
CID 135476431
(4-methylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135424355
ethyl 4-[(4-oxo-3(4H)-quinazolinyl)methyl]benzoate
CID 977664
[2-oxo-2-(1-phenylethylamino)ethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
CID 4782118
Sdccgsbi-0661687.P001
CID 135400001

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The IUPAC name of (4-phenylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate (CID 135512270) is (4-phenylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate.
What is the SMILES notation for (4-phenylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The canonical SMILES for (4-phenylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate is O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The InChIKey is LUVDNTQKLZLQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c27-23(15-14-22-25-21-9-5-4-8-20(21)24(28)26-22)29-16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13H,14-16H2,(H,25,26,28).
What are the key properties of (4-phenylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
(4-phenylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate has a molecular weight of 384.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate is sourced from PubChem (CID 135512270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).