N-cyclopropyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-2-ylmethyl)propanamide

C21H22N4O2 — CID 51278933

IUPACN-cyclopropyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)N(Cc3ccccn3)C3CC3)cnc12
InChIInChI=1S/C21H22N4O2/c1-15-5-4-7-18-20(15)23-14-24(21(18)27)12-10-19(26)25(17-8-9-17)13-16-6-2-3-11-22-16/h2-7,11,14,17H,8-10,12-13H2,1H3
InChIKeyOZWZPWSHXHZQRG-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.68
Rot. Bonds6

About N-cyclopropyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-2-ylmethyl)propanamide

N-cyclopropyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 51278933) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-cyclopropyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID51278933
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-cyclopropyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)N(Cc3ccccn3)C3CC3)cnc12
InChIInChI=1S/C21H22N4O2/c1-15-5-4-7-18-20(15)23-14-24(21(18)27)12-10-19(26)25(17-8-9-17)13-16-6-2-3-11-22-16/h2-7,11,14,17H,8-10,12-13H2,1H3
InChIKeyOZWZPWSHXHZQRG-UHFFFAOYSA-N
XLogP2.68
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-2-ylmethyl)propanamide 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 N-cyclopropyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of N-cyclopropyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-2-ylmethyl)propanamide (CID 51278933) is N-cyclopropyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-2-ylmethyl)propanamide is Cc1cccc2c(=O)n(CCC(=O)N(Cc3ccccn3)C3CC3)cnc12.
What is the InChIKey of N-cyclopropyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is OZWZPWSHXHZQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-5-4-7-18-20(15)23-14-24(21(18)27)12-10-19(26)25(17-8-9-17)13-16-6-2-3-11-22-16/h2-7,11,14,17H,8-10,12-13H2,1H3.
What are the key properties of N-cyclopropyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-2-ylmethyl)propanamide?
N-cyclopropyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 362.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 51278933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).