4-(8-chloro-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide

C21H21ClN4O2 — CID 50828214

IUPAC4-(8-chloro-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(n2cnc3c(Cl)cccc3c2=O)CC1
InChIInChI=1S/C21H21ClN4O2/c1-14-5-2-3-8-18(14)24-21(28)25-11-9-15(10-12-25)26-13-23-19-16(20(26)27)6-4-7-17(19)22/h2-8,13,15H,9-12H2,1H3,(H,24,28)
InChIKeyFBZCPWIKFICRFL-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.23
Rot. Bonds2

About 4-(8-chloro-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide

4-(8-chloro-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide (PubChem CID 50828214) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 4-(8-chloro-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(8-chloro-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
PubChem CID50828214
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name4-(8-chloro-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(n2cnc3c(Cl)cccc3c2=O)CC1
InChIInChI=1S/C21H21ClN4O2/c1-14-5-2-3-8-18(14)24-21(28)25-11-9-15(10-12-25)26-13-23-19-16(20(26)27)6-4-7-17(19)22/h2-8,13,15H,9-12H2,1H3,(H,24,28)
InChIKeyFBZCPWIKFICRFL-UHFFFAOYSA-N
XLogP4.23
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(8-chloro-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide 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-(8-chloro-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(8-chloro-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide (CID 50828214) is 4-(8-chloro-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(8-chloro-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(8-chloro-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide is Cc1ccccc1NC(=O)N1CCC(n2cnc3c(Cl)cccc3c2=O)CC1.
What is the InChIKey of 4-(8-chloro-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide?
The InChIKey is FBZCPWIKFICRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-14-5-2-3-8-18(14)24-21(28)25-11-9-15(10-12-25)26-13-23-19-16(20(26)27)6-4-7-17(19)22/h2-8,13,15H,9-12H2,1H3,(H,24,28).
What are the key properties of 4-(8-chloro-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide?
4-(8-chloro-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-chloro-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 50828214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).