1-[2-amino-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone

C18H20N2O — CID 104528189

IUPAC1-[2-amino-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2c3ccccc3CCC2C)cc1N
InChIInChI=1S/C18H20N2O/c1-12-7-8-14-5-3-4-6-18(14)20(12)15-9-10-16(13(2)21)17(19)11-15/h3-6,9-12H,7-8,19H2,1-2H3
InChIKeyNXXDOPZGCOWZPP-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.94
Rot. Bonds2

About 1-[2-amino-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone

1-[2-amino-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone (PubChem CID 104528189) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[2-amino-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone
PubChem CID104528189
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[2-amino-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2c3ccccc3CCC2C)cc1N
InChIInChI=1S/C18H20N2O/c1-12-7-8-14-5-3-4-6-18(14)20(12)15-9-10-16(13(2)21)17(19)11-15/h3-6,9-12H,7-8,19H2,1-2H3
InChIKeyNXXDOPZGCOWZPP-UHFFFAOYSA-N
XLogP3.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(2-methyl-2,3-dihydroindol-1-yl)benzoic acid
CID 104500136
2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
CID 81270073
1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone
CID 79600921
5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine
CID 104531976
N'-hydroxy-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide
CID 43188172
1-[2-amino-4-(2-phenylpyrrolidin-1-yl)phenyl]ethanone
CID 104528423
1-[2-amino-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanone
CID 104528687
1-[2-amino-4-(4-methylazepan-1-yl)phenyl]ethanone
CID 104528853
[4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]methanol
CID 61254539
1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone
CID 104528170
1-[2-amino-4-(3,5-dimethylpiperazin-1-yl)phenyl]ethanone
CID 69195971
1-[2-amino-4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanone
CID 113423171

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone (CID 104528189) is 1-[2-amino-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone is CC(=O)c1ccc(N2c3ccccc3CCC2C)cc1N.
What is the InChIKey of 1-[2-amino-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone?
The InChIKey is NXXDOPZGCOWZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-7-8-14-5-3-4-6-18(14)20(12)15-9-10-16(13(2)21)17(19)11-15/h3-6,9-12H,7-8,19H2,1-2H3.
What are the key properties of 1-[2-amino-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone?
1-[2-amino-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone has a molecular weight of 280.37 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone is sourced from PubChem (CID 104528189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).