6-[amino(cyclohexyl)methyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one

C17H24N2O — CID 82173951

IUPAC6-[amino(cyclohexyl)methyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(C(N)C2CCCCC2)cc2c1NC(=O)CC2
InChIInChI=1S/C17H24N2O/c1-11-9-14(16(18)12-5-3-2-4-6-12)10-13-7-8-15(20)19-17(11)13/h9-10,12,16H,2-8,18H2,1H3,(H,19,20)
InChIKeyIZTZKRNNSDAUFZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.46
Rot. Bonds2

About 6-[amino(cyclohexyl)methyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one

6-[amino(cyclohexyl)methyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82173951) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 6-[amino(cyclohexyl)methyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[amino(cyclohexyl)methyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID82173951
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name6-[amino(cyclohexyl)methyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(C(N)C2CCCCC2)cc2c1NC(=O)CC2
InChIInChI=1S/C17H24N2O/c1-11-9-14(16(18)12-5-3-2-4-6-12)10-13-7-8-15(20)19-17(11)13/h9-10,12,16H,2-8,18H2,1H3,(H,19,20)
InChIKeyIZTZKRNNSDAUFZ-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[amino(cyclohexyl)methyl]-7-fluoro-1,3-dihydroindol-2-one
CID 82173516
cyclohexyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299040
7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342875
6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 65023228
(R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride
CID 171200491
cyclohexyl-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503026
6-[(2-fluorophenyl)-hydroxymethyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82173975
4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride
CID 171224638
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
8-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 11106499
6-[amino(cyclobutyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43383703
(S)-cyclobutyl-(3,5-dimethylphenyl)methanamine
CID 130055056

Frequently Asked Questions

What is the IUPAC name of 6-[amino(cyclohexyl)methyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[amino(cyclohexyl)methyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one (CID 82173951) is 6-[amino(cyclohexyl)methyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[amino(cyclohexyl)methyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[amino(cyclohexyl)methyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one is Cc1cc(C(N)C2CCCCC2)cc2c1NC(=O)CC2.
What is the InChIKey of 6-[amino(cyclohexyl)methyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IZTZKRNNSDAUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-11-9-14(16(18)12-5-3-2-4-6-12)10-13-7-8-15(20)19-17(11)13/h9-10,12,16H,2-8,18H2,1H3,(H,19,20).
What are the key properties of 6-[amino(cyclohexyl)methyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one?
6-[amino(cyclohexyl)methyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 272.39 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino(cyclohexyl)methyl]-8-methyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82173951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).