7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one

C23H29N3O — CID 70731887

IUPAC7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(N2CCC3(CCCN(CC4CCC4)C3=O)C2)nc2ccccc12
InChIInChI=1S/C23H29N3O/c1-17-14-21(24-20-9-3-2-8-19(17)20)26-13-11-23(16-26)10-5-12-25(22(23)27)15-18-6-4-7-18/h2-3,8-9,14,18H,4-7,10-13,15-16H2,1H3
InChIKeyLXPWSHMIKMUAJM-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.16
Rot. Bonds3

About 7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one

7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 70731887) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID70731887
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(N2CCC3(CCCN(CC4CCC4)C3=O)C2)nc2ccccc12
InChIInChI=1S/C23H29N3O/c1-17-14-21(24-20-9-3-2-8-19(17)20)26-13-11-23(16-26)10-5-12-25(22(23)27)15-18-6-4-7-18/h2-3,8-9,14,18H,4-7,10-13,15-16H2,1H3
InChIKeyLXPWSHMIKMUAJM-UHFFFAOYSA-N
XLogP4.16
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 70731887) is 7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cc(N2CCC3(CCCN(CC4CCC4)C3=O)C2)nc2ccccc12.
What is the InChIKey of 7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is LXPWSHMIKMUAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-17-14-21(24-20-9-3-2-8-19(17)20)26-13-11-23(16-26)10-5-12-25(22(23)27)15-18-6-4-7-18/h2-3,8-9,14,18H,4-7,10-13,15-16H2,1H3.
What are the key properties of 7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 363.50 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 70731887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).