N-(2-chloro-4-methylphenyl)-4-(6-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide

C22H23ClN4O2 — CID 50828397

IUPACN-(2-chloro-4-methylphenyl)-4-(6-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(n3cnc4ccc(C)cc4c3=O)CC2)c(Cl)c1
InChIInChI=1S/C22H23ClN4O2/c1-14-3-5-19-17(11-14)21(28)27(13-24-19)16-7-9-26(10-8-16)22(29)25-20-6-4-15(2)12-18(20)23/h3-6,11-13,16H,7-10H2,1-2H3,(H,25,29)
InChIKeyGQNPVQZWVIFBFE-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.54
Rot. Bonds2

About N-(2-chloro-4-methylphenyl)-4-(6-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide

N-(2-chloro-4-methylphenyl)-4-(6-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide (PubChem CID 50828397) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-(6-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4-(6-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide
PubChem CID50828397
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC NameN-(2-chloro-4-methylphenyl)-4-(6-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(n3cnc4ccc(C)cc4c3=O)CC2)c(Cl)c1
InChIInChI=1S/C22H23ClN4O2/c1-14-3-5-19-17(11-14)21(28)27(13-24-19)16-7-9-26(10-8-16)22(29)25-20-6-4-15(2)12-18(20)23/h3-6,11-13,16H,7-10H2,1-2H3,(H,25,29)
InChIKeyGQNPVQZWVIFBFE-UHFFFAOYSA-N
XLogP4.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-chloro-4-methylphenyl)-4-(6-methyl-4-oxoquinazolin-3-yl)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

Related Compounds

4-(6-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
CID 50828302
4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 50828271
4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 50828339
N-(2-chloro-4-methylphenyl)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide
CID 91914761
N-(2-chloro-4-methylphenyl)azocane-1-carboxamide
CID 17180409
4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide
CID 46344313
2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79610817
4-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 50828166
6-chloro-3-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113802
3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methylquinazolin-4-one
CID 53113939
3-(azetidin-3-yl)-6-methylquinazolin-4-one
CID 117263880
(4aS,8aS)-N-(2-chloro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944346

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-(6-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4-(6-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide (CID 50828397) is N-(2-chloro-4-methylphenyl)-4-(6-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-(6-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-(6-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(n3cnc4ccc(C)cc4c3=O)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-(6-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide?
The InChIKey is GQNPVQZWVIFBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-14-3-5-19-17(11-14)21(28)27(13-24-19)16-7-9-26(10-8-16)22(29)25-20-6-4-15(2)12-18(20)23/h3-6,11-13,16H,7-10H2,1-2H3,(H,25,29).
What are the key properties of N-(2-chloro-4-methylphenyl)-4-(6-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide?
N-(2-chloro-4-methylphenyl)-4-(6-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-4-(6-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 50828397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).