7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide

C21H23ClN4O3 — CID 53169684

IUPAC7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCC2(CC1)NC(=O)c1ccc(Cl)cc1N2
InChIInChI=1S/C21H23ClN4O3/c1-13-3-6-18(29-2)17(11-13)23-20(28)26-9-7-21(8-10-26)24-16-12-14(22)4-5-15(16)19(27)25-21/h3-6,11-12,24H,7-10H2,1-2H3,(H,23,28)(H,25,27)
InChIKeyZUDSWZMELKXTEU-UHFFFAOYSA-N
MW414.89 g/mol
LogP3.84
Rot. Bonds2

About 7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide

7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide (PubChem CID 53169684) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is 7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
PubChem CID53169684
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC Name7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCC2(CC1)NC(=O)c1ccc(Cl)cc1N2
InChIInChI=1S/C21H23ClN4O3/c1-13-3-6-18(29-2)17(11-13)23-20(28)26-9-7-21(8-10-26)24-16-12-14(22)4-5-15(16)19(27)25-21/h3-6,11-12,24H,7-10H2,1-2H3,(H,23,28)(H,25,27)
InChIKeyZUDSWZMELKXTEU-UHFFFAOYSA-N
XLogP3.84
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide with MolForge

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Related Compounds

7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 46169529
6,7-difluoro-N-(2-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 42875576
N-(5-chloro-2-methoxyphenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 56741860
N-(2,4-dimethylphenyl)-6,7-difluoro-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 46077885
7-chloro-1'-(3,5-dimethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875425
1-ethyl-N-(2-methoxy-5-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169629
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 53169517
N-(5-chloro-2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357445
N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185489
4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 92769484
4-[(4-chlorophenyl)-phenylmethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 46100839

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide (CID 53169684) is 7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide is COc1ccc(C)cc1NC(=O)N1CCC2(CC1)NC(=O)c1ccc(Cl)cc1N2.
What is the InChIKey of 7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide?
The InChIKey is ZUDSWZMELKXTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-13-3-6-18(29-2)17(11-13)23-20(28)26-9-7-21(8-10-26)24-16-12-14(22)4-5-15(16)19(27)25-21/h3-6,11-12,24H,7-10H2,1-2H3,(H,23,28)(H,25,27).
What are the key properties of 7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide?
7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 3.84, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 53169684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).