N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide

C20H19N3O3 — CID 22423244

IUPACN-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide
SMILESO=C(NC1CC1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C20H19N3O3/c24-18(21-15-7-8-15)14-6-9-16-17(12-14)22-20(26)23(19(16)25)11-10-13-4-2-1-3-5-13/h1-6,9,12,15H,7-8,10-11H2,(H,21,24)(H,22,26)
InChIKeyJXPQJKGYIZOGDL-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.82
Rot. Bonds5

About N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide

N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide (PubChem CID 22423244) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide
PubChem CID22423244
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide
SMILESO=C(NC1CC1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C20H19N3O3/c24-18(21-15-7-8-15)14-6-9-16-17(12-14)22-20(26)23(19(16)25)11-10-13-4-2-1-3-5-13/h1-6,9,12,15H,7-8,10-11H2,(H,21,24)(H,22,26)
InChIKeyJXPQJKGYIZOGDL-UHFFFAOYSA-N
XLogP1.82
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2,4-dioxo-3-(2-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)-1H-quinazoline-7-carboxamide
CID 3241648
N-(1-benzylpiperidin-4-yl)-2-oxo-1-(2-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 3232154
N'-(cyclopropanecarbonyl)-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1H-quinazoline-7-carbohydrazide
CID 18274672
3-ethyl-2,4-dioxo-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-quinazoline-7-carboxamide
CID 166216984
N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide
CID 121020867
2,4-dioxo-N-(2-phenylethyl)-3-prop-2-enyl-1H-quinazoline-7-carboxamide
CID 3297643
N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 22588176
3-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 3282553
methyl 3-[2-[5-(cyclopentylcarbamoyl)benzotriazol-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 53085261
3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 136580955
N-cyclohexyl-3-[(4-ethoxy-3-methylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 130460812
tert-butyl 3-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]pyrrolidine-1-carboxylate
CID 167871842

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide?
The IUPAC name of N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide (CID 22423244) is N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide is O=C(NC1CC1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide?
The InChIKey is JXPQJKGYIZOGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-18(21-15-7-8-15)14-6-9-16-17(12-14)22-20(26)23(19(16)25)11-10-13-4-2-1-3-5-13/h1-6,9,12,15H,7-8,10-11H2,(H,21,24)(H,22,26).
What are the key properties of N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide?
N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 22423244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).