N-cyclopropyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide

C20H21N3O3 — CID 3490664

IUPACN-cyclopropyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
SMILESCCc1ccc(N2C(=O)Nc3ccccc3C2(O)C(=O)NC2CC2)cc1
InChIInChI=1S/C20H21N3O3/c1-2-13-7-11-15(12-8-13)23-19(25)22-17-6-4-3-5-16(17)20(23,26)18(24)21-14-9-10-14/h3-8,11-12,14,26H,2,9-10H2,1H3,(H,21,24)(H,22,25)
InChIKeyVSHLXECYZIFJTE-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.72
Rot. Bonds4

About N-cyclopropyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide

N-cyclopropyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide (PubChem CID 3490664) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
PubChem CID3490664
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-cyclopropyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
SMILESCCc1ccc(N2C(=O)Nc3ccccc3C2(O)C(=O)NC2CC2)cc1
InChIInChI=1S/C20H21N3O3/c1-2-13-7-11-15(12-8-13)23-19(25)22-17-6-4-3-5-16(17)20(23,26)18(24)21-14-9-10-14/h3-8,11-12,14,26H,2,9-10H2,1H3,(H,21,24)(H,22,25)
InChIKeyVSHLXECYZIFJTE-UHFFFAOYSA-N
XLogP2.72
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide (CID 3490664) is N-cyclopropyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide is CCc1ccc(N2C(=O)Nc3ccccc3C2(O)C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide?
The InChIKey is VSHLXECYZIFJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-13-7-11-15(12-8-13)23-19(25)22-17-6-4-3-5-16(17)20(23,26)18(24)21-14-9-10-14/h3-8,11-12,14,26H,2,9-10H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-cyclopropyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide?
N-cyclopropyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 3490664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).