1-methyl-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C21H28N4O2 — CID 70725851

IUPAC1-methyl-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(Cc2cc3ccccc3n(C)c2=O)CC12CCNC(=O)CC2
InChIInChI=1S/C21H28N4O2/c1-23-11-12-25(15-21(23)8-7-19(26)22-10-9-21)14-17-13-16-5-3-4-6-18(16)24(2)20(17)27/h3-6,13H,7-12,14-15H2,1-2H3,(H,22,26)
InChIKeyKCOJDUWFFSIRIF-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.32
Rot. Bonds2

About 1-methyl-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

1-methyl-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 70725851) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-methyl-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name1-methyl-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID70725851
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-methyl-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(Cc2cc3ccccc3n(C)c2=O)CC12CCNC(=O)CC2
InChIInChI=1S/C21H28N4O2/c1-23-11-12-25(15-21(23)8-7-19(26)22-10-9-21)14-17-13-16-5-3-4-6-18(16)24(2)20(17)27/h3-6,13H,7-12,14-15H2,1-2H3,(H,22,26)
InChIKeyKCOJDUWFFSIRIF-UHFFFAOYSA-N
XLogP1.32
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-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 1-methyl-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 1-methyl-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 70725851) is 1-methyl-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 1-methyl-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 1-methyl-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(Cc2cc3ccccc3n(C)c2=O)CC12CCNC(=O)CC2.
What is the InChIKey of 1-methyl-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is KCOJDUWFFSIRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-23-11-12-25(15-21(23)8-7-19(26)22-10-9-21)14-17-13-16-5-3-4-6-18(16)24(2)20(17)27/h3-6,13H,7-12,14-15H2,1-2H3,(H,22,26).
What are the key properties of 1-methyl-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
1-methyl-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 368.48 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 70725851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).