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

C19H18N2O3 — CID 135424355

IUPAC(4-methylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESCc1ccc(COC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H18N2O3/c1-13-6-8-14(9-7-13)12-24-18(22)11-10-17-20-16-5-3-2-4-15(16)19(23)21-17/h2-9H,10-12H2,1H3,(H,20,21,23)
InChIKeyTXUZWCOZQQCCHM-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.91
Rot. Bonds5

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

(4-methylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate (PubChem CID 135424355) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (4-methylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
PubChem CID135424355
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(4-methylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESCc1ccc(COC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H18N2O3/c1-13-6-8-14(9-7-13)12-24-18(22)11-10-17-20-16-5-3-2-4-15(16)19(23)21-17/h2-9H,10-12H2,1H3,(H,20,21,23)
InChIKeyTXUZWCOZQQCCHM-UHFFFAOYSA-N
XLogP2.91
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The IUPAC name of (4-methylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate (CID 135424355) is (4-methylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate.
What is the SMILES notation for (4-methylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The canonical SMILES for (4-methylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate is Cc1ccc(COC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of (4-methylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The InChIKey is TXUZWCOZQQCCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-6-8-14(9-7-13)12-24-18(22)11-10-17-20-16-5-3-2-4-15(16)19(23)21-17/h2-9H,10-12H2,1H3,(H,20,21,23).
What are the key properties of (4-methylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
(4-methylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate has a molecular weight of 322.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate is sourced from PubChem (CID 135424355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).