4-[(2-aminocyclohexyl)amino]-1-methylquinolin-2-one

C16H21N3O — CID 81237084

IUPAC4-[(2-aminocyclohexyl)amino]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(NC2CCCCC2N)c2ccccc21
InChIInChI=1S/C16H21N3O/c1-19-15-9-5-2-6-11(15)14(10-16(19)20)18-13-8-4-3-7-12(13)17/h2,5-6,9-10,12-13,18H,3-4,7-8,17H2,1H3
InChIKeyNATKSSHNBJNSSI-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.22
Rot. Bonds2

About 4-[(2-aminocyclohexyl)amino]-1-methylquinolin-2-one

4-[(2-aminocyclohexyl)amino]-1-methylquinolin-2-one (PubChem CID 81237084) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[(2-aminocyclohexyl)amino]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[(2-aminocyclohexyl)amino]-1-methylquinolin-2-one
PubChem CID81237084
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[(2-aminocyclohexyl)amino]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(NC2CCCCC2N)c2ccccc21
InChIInChI=1S/C16H21N3O/c1-19-15-9-5-2-6-11(15)14(10-16(19)20)18-13-8-4-3-7-12(13)17/h2,5-6,9-10,12-13,18H,3-4,7-8,17H2,1H3
InChIKeyNATKSSHNBJNSSI-UHFFFAOYSA-N
XLogP2.22
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2-aminocyclohexyl)amino]-1-methylquinolin-2-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 4-[(2-aminocyclohexyl)amino]-1-methylquinolin-2-one?
The IUPAC name of 4-[(2-aminocyclohexyl)amino]-1-methylquinolin-2-one (CID 81237084) is 4-[(2-aminocyclohexyl)amino]-1-methylquinolin-2-one.
What is the SMILES notation for 4-[(2-aminocyclohexyl)amino]-1-methylquinolin-2-one?
The canonical SMILES for 4-[(2-aminocyclohexyl)amino]-1-methylquinolin-2-one is Cn1c(=O)cc(NC2CCCCC2N)c2ccccc21.
What is the InChIKey of 4-[(2-aminocyclohexyl)amino]-1-methylquinolin-2-one?
The InChIKey is NATKSSHNBJNSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19-15-9-5-2-6-11(15)14(10-16(19)20)18-13-8-4-3-7-12(13)17/h2,5-6,9-10,12-13,18H,3-4,7-8,17H2,1H3.
What are the key properties of 4-[(2-aminocyclohexyl)amino]-1-methylquinolin-2-one?
4-[(2-aminocyclohexyl)amino]-1-methylquinolin-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminocyclohexyl)amino]-1-methylquinolin-2-one is sourced from PubChem (CID 81237084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).