(5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C18H20N2O — CID 61290980

IUPAC(5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc(N)cc1C(=O)N1CCCc2cccc(C)c21
InChIInChI=1S/C18H20N2O/c1-12-8-9-15(19)11-16(12)18(21)20-10-4-7-14-6-3-5-13(2)17(14)20/h3,5-6,8-9,11H,4,7,10,19H2,1-2H3
InChIKeyNNDQEAROIHHPGL-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.48
Rot. Bonds1

About (5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 61290980) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID61290980
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc(N)cc1C(=O)N1CCCc2cccc(C)c21
InChIInChI=1S/C18H20N2O/c1-12-8-9-15(19)11-16(12)18(21)20-10-4-7-14-6-3-5-13(2)17(14)20/h3,5-6,8-9,11H,4,7,10,19H2,1-2H3
InChIKeyNNDQEAROIHHPGL-UHFFFAOYSA-N
XLogP3.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.48
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

(4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61112430
(2-amino-4-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61112240
(2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107951713
(4-amino-1-ethylpyrrol-2-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61113186
(5-bromo-2-fluorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60704859
(5-amino-2-methylphenyl)-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 120630754
(2-chlorofuran-3-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106685630
(4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81229573
(2-bromo-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103756393
2,3-dihydro-1,4-benzodioxin-5-yl-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60596592
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;dihydrochloride
CID 120646636
2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)chromen-4-one
CID 51074599

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 61290980) is (5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc(N)cc1C(=O)N1CCCc2cccc(C)c21.
What is the InChIKey of (5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is NNDQEAROIHHPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-8-9-15(19)11-16(12)18(21)20-10-4-7-14-6-3-5-13(2)17(14)20/h3,5-6,8-9,11H,4,7,10,19H2,1-2H3.
What are the key properties of (5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 61290980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).