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

C23H28N4O2 — CID 53169556

IUPACN-(3,4-dimethylphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCc1ccc2c(c1)C(=O)NC1(CCN(C(=O)Nc3ccc(C)c(C)c3)CC1)N2C
InChIInChI=1S/C23H28N4O2/c1-15-5-8-20-19(13-15)21(28)25-23(26(20)4)9-11-27(12-10-23)22(29)24-18-7-6-16(2)17(3)14-18/h5-8,13-14H,9-12H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyQBKDVEBVQYIFFK-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.82
Rot. Bonds1

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

N-(3,4-dimethylphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide (PubChem CID 53169556) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
PubChem CID53169556
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-(3,4-dimethylphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
SMILESCc1ccc2c(c1)C(=O)NC1(CCN(C(=O)Nc3ccc(C)c(C)c3)CC1)N2C
InChIInChI=1S/C23H28N4O2/c1-15-5-8-20-19(13-15)21(28)25-23(26(20)4)9-11-27(12-10-23)22(29)24-18-7-6-16(2)17(3)14-18/h5-8,13-14H,9-12H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyQBKDVEBVQYIFFK-UHFFFAOYSA-N
XLogP3.82
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169561
N-(4-methoxyphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169562
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
N-(3-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169540
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 53169309
N-(3,4-dimethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 22580698
N-benzyl-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169534
1-ethyl-N-(2-methoxy-5-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169629
4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 56878672
7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 46169529

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide (CID 53169556) is N-(3,4-dimethylphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide is Cc1ccc2c(c1)C(=O)NC1(CCN(C(=O)Nc3ccc(C)c(C)c3)CC1)N2C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
The InChIKey is QBKDVEBVQYIFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-15-5-8-20-19(13-15)21(28)25-23(26(20)4)9-11-27(12-10-23)22(29)24-18-7-6-16(2)17(3)14-18/h5-8,13-14H,9-12H2,1-4H3,(H,24,29)(H,25,28).
What are the key properties of N-(3,4-dimethylphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide?
N-(3,4-dimethylphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 53169556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).