6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one

C16H22N2O — CID 43446552

IUPAC6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one
SMILESNc1ccc2c(c1)CCC(=O)N2CC1CCCCC1
InChIInChI=1S/C16H22N2O/c17-14-7-8-15-13(10-14)6-9-16(19)18(15)11-12-4-2-1-3-5-12/h7-8,10,12H,1-6,9,11,17H2
InChIKeyKJNNGSJREJEXMV-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.13
Rot. Bonds2

About 6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one

6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one (PubChem CID 43446552) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one
PubChem CID43446552
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one
SMILESNc1ccc2c(c1)CCC(=O)N2CC1CCCCC1
InChIInChI=1S/C16H22N2O/c17-14-7-8-15-13(10-14)6-9-16(19)18(15)11-12-4-2-1-3-5-12/h7-8,10,12H,1-6,9,11,17H2
InChIKeyKJNNGSJREJEXMV-UHFFFAOYSA-N
XLogP3.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-1-(cyclohexylmethyl)-3H-indol-2-one
CID 43382539
5-amino-1-(cyclobutylmethyl)-3H-indol-2-one
CID 65457808
6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-2-one
CID 125483451
6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one
CID 115256369
6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one
CID 115223654
2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-(cyclopropylmethyl)acetamide
CID 43446555
6-amino-1-(morpholin-3-ylmethyl)-3,4-dihydroquinolin-2-one
CID 115237843
2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 61488262
6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one
CID 82926292
4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)butanenitrile
CID 43446567
7-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 116521754
1-(cyclohexylmethyl)-6-prop-2-enoxy-7-prop-2-enyl-3,4-dihydroquinolin-2-one
CID 19068047

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one (CID 43446552) is 6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one is Nc1ccc2c(c1)CCC(=O)N2CC1CCCCC1.
What is the InChIKey of 6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is KJNNGSJREJEXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-14-7-8-15-13(10-14)6-9-16(19)18(15)11-12-4-2-1-3-5-12/h7-8,10,12H,1-6,9,11,17H2.
What are the key properties of 6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one?
6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 258.36 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 43446552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).