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

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Related Compounds

4-[[2-(hydroxymethyl)cyclohexyl]amino]-1-methylquinolin-2-one
CID 106362280
4-(cyclobutylamino)-1-methylquinolin-2-one
CID 81244035
4-[(2,2-dimethylcyclopropyl)amino]-1-methylquinolin-2-one
CID 81244227
1-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]quinolin-2-one
CID 106258245
1-methyl-4-[(2-methylcyclohexyl)methylamino]quinolin-2-one
CID 81244559
4-[(1,1-dioxothian-3-yl)amino]-1-methylquinolin-2-one
CID 81244475
1-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]quinolin-2-one
CID 81243745
trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine
CID 93453736
N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694501
1-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]quinolin-2-one
CID 81244583
1-methyl-4-[(1-methylpiperidin-4-yl)methylamino]quinolin-2-one
CID 81244561
6-amino-4-(cyclopropylamino)-1-methylquinolin-2-one
CID 142478419

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).