1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide

C22H26N4O2 — CID 53169561

IUPAC1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCc1cccc(NC(=O)N2CCC3(CC2)NC(=O)c2cc(C)ccc2N3C)c1
InChIInChI=1S/C22H26N4O2/c1-15-5-4-6-17(13-15)23-21(28)26-11-9-22(10-12-26)24-20(27)18-14-16(2)7-8-19(18)25(22)3/h4-8,13-14H,9-12H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyBXWMXOXUYIVHJN-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.51
Rot. Bonds1

About 1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide

1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide (PubChem CID 53169561) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
PubChem CID53169561
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCc1cccc(NC(=O)N2CCC3(CC2)NC(=O)c2cc(C)ccc2N3C)c1
InChIInChI=1S/C22H26N4O2/c1-15-5-4-6-17(13-15)23-21(28)26-11-9-22(10-12-26)24-20(27)18-14-16(2)7-8-19(18)25(22)3/h4-8,13-14H,9-12H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyBXWMXOXUYIVHJN-UHFFFAOYSA-N
XLogP3.51
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169556
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-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169557
6-chloro-N-(4-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169600
7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 46169529
3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 155900887
1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 53169309
3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 103727847
N-benzyl-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169534
N-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169538
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide (CID 53169561) is 1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide is Cc1cccc(NC(=O)N2CCC3(CC2)NC(=O)c2cc(C)ccc2N3C)c1.
What is the InChIKey of 1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The InChIKey is BXWMXOXUYIVHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-5-4-6-17(13-15)23-21(28)26-11-9-22(10-12-26)24-20(27)18-14-16(2)7-8-19(18)25(22)3/h4-8,13-14H,9-12H2,1-3H3,(H,23,28)(H,24,27).
What are the key properties of 1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 53169561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).