(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone

C18H20N2O — CID 62266897

IUPAC(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCc3ccc(N)cc32)c(C)c1
InChIInChI=1S/C18H20N2O/c1-12-5-8-16(13(2)10-12)18(21)20-9-3-4-14-6-7-15(19)11-17(14)20/h5-8,10-11H,3-4,9,19H2,1-2H3
InChIKeySKRGPGPPNBNESK-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.48
Rot. Bonds1

About (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone (PubChem CID 62266897) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone
PubChem CID62266897
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCc3ccc(N)cc32)c(C)c1
InChIInChI=1S/C18H20N2O/c1-12-5-8-16(13(2)10-12)18(21)20-9-3-4-14-6-7-15(19)11-17(14)20/h5-8,10-11H,3-4,9,19H2,1-2H3
InChIKeySKRGPGPPNBNESK-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

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 62266900
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107670570
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone
CID 81110443
(5-amino-2-chlorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 29044601
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-chlorophenyl)methanone
CID 107986323
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 62266898
1-(2,4-dimethylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 86982066
ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 62265682
(5-amino-2-methylphenyl)-(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 120630754
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107687651
(6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone
CID 65306128
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153

Frequently Asked Questions

What is the IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone?
The IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone (CID 62266897) is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone.
What is the SMILES notation for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone?
The canonical SMILES for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone is Cc1ccc(C(=O)N2CCCc3ccc(N)cc32)c(C)c1.
What is the InChIKey of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone?
The InChIKey is SKRGPGPPNBNESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-5-8-16(13(2)10-12)18(21)20-9-3-4-14-6-7-15(19)11-17(14)20/h5-8,10-11H,3-4,9,19H2,1-2H3.
What are the key properties of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone?
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)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 (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone is sourced from PubChem (CID 62266897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).