3-[(cyclohexylamino)methyl]-8-methoxy-1H-quinolin-2-one

C17H22N2O2 — CID 146001040

IUPAC3-[(cyclohexylamino)methyl]-8-methoxy-1H-quinolin-2-one
SMILESCOc1cccc2cc(CNC3CCCCC3)c(=O)[nH]c12
InChIInChI=1S/C17H22N2O2/c1-21-15-9-5-6-12-10-13(17(20)19-16(12)15)11-18-14-7-3-2-4-8-14/h5-6,9-10,14,18H,2-4,7-8,11H2,1H3,(H,19,20)
InChIKeyRKMVUZKOGXPQHG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.96
Rot. Bonds4

About 3-[(cyclohexylamino)methyl]-8-methoxy-1H-quinolin-2-one

3-[(cyclohexylamino)methyl]-8-methoxy-1H-quinolin-2-one (PubChem CID 146001040) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[(cyclohexylamino)methyl]-8-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(cyclohexylamino)methyl]-8-methoxy-1H-quinolin-2-one
PubChem CID146001040
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-[(cyclohexylamino)methyl]-8-methoxy-1H-quinolin-2-one
SMILESCOc1cccc2cc(CNC3CCCCC3)c(=O)[nH]c12
InChIInChI=1S/C17H22N2O2/c1-21-15-9-5-6-12-10-13(17(20)19-16(12)15)11-18-14-7-3-2-4-8-14/h5-6,9-10,14,18H,2-4,7-8,11H2,1H3,(H,19,20)
InChIKeyRKMVUZKOGXPQHG-UHFFFAOYSA-N
XLogP2.96
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cilostamide
CID 2753
8-Methoxy-4-methylquinolin-2(1H)-one
CID 782123
8-Methoxy-1,4-dimethyl-1h-quinolin-2-one
CID 5324988
7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3-carboxylic Acid Phenethylamide
CID 11718456
7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide
CID 23555584
8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 23555586
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 862743
4-(((4-Methoxyphenyl)amino)methyl)quinolin-2-ol
CID 1850508
(5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 44609164
4-hydroxy-N-(2-methoxyphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54687734
W5H9TE2Bny
CID 67528638
3-[(2,4-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 941920

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclohexylamino)methyl]-8-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[(cyclohexylamino)methyl]-8-methoxy-1H-quinolin-2-one (CID 146001040) is 3-[(cyclohexylamino)methyl]-8-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[(cyclohexylamino)methyl]-8-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[(cyclohexylamino)methyl]-8-methoxy-1H-quinolin-2-one is COc1cccc2cc(CNC3CCCCC3)c(=O)[nH]c12.
What is the InChIKey of 3-[(cyclohexylamino)methyl]-8-methoxy-1H-quinolin-2-one?
The InChIKey is RKMVUZKOGXPQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-21-15-9-5-6-12-10-13(17(20)19-16(12)15)11-18-14-7-3-2-4-8-14/h5-6,9-10,14,18H,2-4,7-8,11H2,1H3,(H,19,20).
What are the key properties of 3-[(cyclohexylamino)methyl]-8-methoxy-1H-quinolin-2-one?
3-[(cyclohexylamino)methyl]-8-methoxy-1H-quinolin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclohexylamino)methyl]-8-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 146001040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).