7-chloro-1-ethyl-N-(4-methoxy-2-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide

C23H27ClN4O3 — CID 53169651

IUPAC7-chloro-1-ethyl-N-(4-methoxy-2-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCCN1c2cc(Cl)ccc2C(=O)NC12CCN(C(=O)Nc1ccc(OC)cc1C)CC2
InChIInChI=1S/C23H27ClN4O3/c1-4-28-20-14-16(24)5-7-18(20)21(29)26-23(28)9-11-27(12-10-23)22(30)25-19-8-6-17(31-3)13-15(19)2/h5-8,13-14H,4,9-12H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyKXLJFFUHDJPKGA-UHFFFAOYSA-N
MW442.95 g/mol
LogP4.25
Rot. Bonds3

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

7-chloro-1-ethyl-N-(4-methoxy-2-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide (PubChem CID 53169651) has the molecular formula C23H27ClN4O3 and a molecular weight of 442.95 g/mol. Its IUPAC name is 7-chloro-1-ethyl-N-(4-methoxy-2-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name7-chloro-1-ethyl-N-(4-methoxy-2-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
PubChem CID53169651
Molecular FormulaC23H27ClN4O3
Molecular Weight442.95 g/mol
Exact Mass442.18
IUPAC Name7-chloro-1-ethyl-N-(4-methoxy-2-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCCN1c2cc(Cl)ccc2C(=O)NC12CCN(C(=O)Nc1ccc(OC)cc1C)CC2
InChIInChI=1S/C23H27ClN4O3/c1-4-28-20-14-16(24)5-7-18(20)21(29)26-23(28)9-11-27(12-10-23)22(30)25-19-8-6-17(31-3)13-15(19)2/h5-8,13-14H,4,9-12H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyKXLJFFUHDJPKGA-UHFFFAOYSA-N
XLogP4.25
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(2-methoxy-5-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169629
6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169600
N-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide
CID 136518198
7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169684
N-(4-methoxyphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169562
3-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
CID 53029712
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613
N-(2,4-dimethylphenyl)-6,7-difluoro-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 46077885
N-(3-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169540
N-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113209
7-chloro-1'-(3,5-dimethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875425
1'-(3,5-dimethylbenzoyl)-1-ethyl-6-fluorospiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 53169465

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-ethyl-N-(4-methoxy-2-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 7-chloro-1-ethyl-N-(4-methoxy-2-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide (CID 53169651) is 7-chloro-1-ethyl-N-(4-methoxy-2-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 7-chloro-1-ethyl-N-(4-methoxy-2-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 7-chloro-1-ethyl-N-(4-methoxy-2-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide is CCN1c2cc(Cl)ccc2C(=O)NC12CCN(C(=O)Nc1ccc(OC)cc1C)CC2.
What is the InChIKey of 7-chloro-1-ethyl-N-(4-methoxy-2-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The InChIKey is KXLJFFUHDJPKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3/c1-4-28-20-14-16(24)5-7-18(20)21(29)26-23(28)9-11-27(12-10-23)22(30)25-19-8-6-17(31-3)13-15(19)2/h5-8,13-14H,4,9-12H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of 7-chloro-1-ethyl-N-(4-methoxy-2-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
7-chloro-1-ethyl-N-(4-methoxy-2-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 442.95 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-ethyl-N-(4-methoxy-2-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 53169651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).