7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide

C20H21ClN4O2 — CID 46169529

IUPAC7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCc1cccc(NC(=O)N2CCC3(CC2)NC(=O)c2ccc(Cl)cc2N3)c1
InChIInChI=1S/C20H21ClN4O2/c1-13-3-2-4-15(11-13)22-19(27)25-9-7-20(8-10-25)23-17-12-14(21)5-6-16(17)18(26)24-20/h2-6,11-12,23H,7-10H2,1H3,(H,22,27)(H,24,26)
InChIKeyQNUWIWAZMYVYAW-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.83
Rot. Bonds1

About 7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide

7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide (PubChem CID 46169529) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
PubChem CID46169529
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCc1cccc(NC(=O)N2CCC3(CC2)NC(=O)c2ccc(Cl)cc2N3)c1
InChIInChI=1S/C20H21ClN4O2/c1-13-3-2-4-15(11-13)22-19(27)25-9-7-20(8-10-25)23-17-12-14(21)5-6-16(17)18(26)24-20/h2-6,11-12,23H,7-10H2,1H3,(H,22,27)(H,24,26)
InChIKeyQNUWIWAZMYVYAW-UHFFFAOYSA-N
XLogP3.83
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-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

7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169684
1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169561
7-chloro-1'-(3,5-dimethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875425
N-(2,4-dimethylphenyl)-6,7-difluoro-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 46077885
6,7-difluoro-N-(4-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 42875577
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976
N-(3-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169540
7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 53169517
N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 155900887
6,7-difluoro-N-(2-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 42875576
3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 103727847

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide (CID 46169529) is 7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide is Cc1cccc(NC(=O)N2CCC3(CC2)NC(=O)c2ccc(Cl)cc2N3)c1.
What is the InChIKey of 7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide?
The InChIKey is QNUWIWAZMYVYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-13-3-2-4-15(11-13)22-19(27)25-9-7-20(8-10-25)23-17-12-14(21)5-6-16(17)18(26)24-20/h2-6,11-12,23H,7-10H2,1H3,(H,22,27)(H,24,26).
What are the key properties of 7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide?
7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 3.83, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 46169529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).