6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide

C22H25ClN4O3 — CID 53169600

IUPAC6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC3(CC2)NC(=O)c2cc(Cl)ccc2N3C)cc1
InChIInChI=1S/C22H25ClN4O3/c1-3-30-17-7-5-16(6-8-17)24-21(29)27-12-10-22(11-13-27)25-20(28)18-14-15(23)4-9-19(18)26(22)2/h4-9,14H,3,10-13H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyMPGXKPMHCXUKFZ-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.94
Rot. Bonds3

About 6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide

6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide (PubChem CID 53169600) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
PubChem CID53169600
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC3(CC2)NC(=O)c2cc(Cl)ccc2N3C)cc1
InChIInChI=1S/C22H25ClN4O3/c1-3-30-17-7-5-16(6-8-17)24-21(29)27-12-10-22(11-13-27)25-20(28)18-14-15(23)4-9-19(18)26(22)2/h4-9,14H,3,10-13H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyMPGXKPMHCXUKFZ-UHFFFAOYSA-N
XLogP3.94
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169562
N-(3-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169540
N-(3,4-dimethylphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169556
1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169561
N-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169538
4-(3-chlorobenzoyl)-N-(4-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 3956724
4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 6470193
N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160
7-chloro-1-ethyl-N-(4-methoxy-2-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169651
N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide
CID 7165091
N-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169557
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide (CID 53169600) is 6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide is CCOc1ccc(NC(=O)N2CCC3(CC2)NC(=O)c2cc(Cl)ccc2N3C)cc1.
What is the InChIKey of 6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The InChIKey is MPGXKPMHCXUKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-3-30-17-7-5-16(6-8-17)24-21(29)27-12-10-22(11-13-27)25-20(28)18-14-15(23)4-9-19(18)26(22)2/h4-9,14H,3,10-13H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of 6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 428.92 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 53169600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).