1-methyl-6-[1-(methylamino)heptyl]-3,4-dihydroquinolin-2-one

C18H28N2O — CID 114752545

IUPAC1-methyl-6-[1-(methylamino)heptyl]-3,4-dihydroquinolin-2-one
SMILESCCCCCCC(NC)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C18H28N2O/c1-4-5-6-7-8-16(19-2)14-9-11-17-15(13-14)10-12-18(21)20(17)3/h9,11,13,16,19H,4-8,10,12H2,1-3H3
InChIKeyHTBWKZAOUFZLMU-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.83
Rot. Bonds7

About 1-methyl-6-[1-(methylamino)heptyl]-3,4-dihydroquinolin-2-one

1-methyl-6-[1-(methylamino)heptyl]-3,4-dihydroquinolin-2-one (PubChem CID 114752545) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-methyl-6-[1-(methylamino)heptyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[1-(methylamino)heptyl]-3,4-dihydroquinolin-2-one
PubChem CID114752545
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-methyl-6-[1-(methylamino)heptyl]-3,4-dihydroquinolin-2-one
SMILESCCCCCCC(NC)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C18H28N2O/c1-4-5-6-7-8-16(19-2)14-9-11-17-15(13-14)10-12-18(21)20(17)3/h9,11,13,16,19H,4-8,10,12H2,1-3H3
InChIKeyHTBWKZAOUFZLMU-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116952952
6-[2-amino-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116855688
6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 55177038
1-methyl-6-[1-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 63105201
6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63106881
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
CID 65450080
7-[1-(methylamino)heptyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 114752371
6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116932774
6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82291111
1-(3,4-diethylphenyl)-N-methylnonan-1-amine
CID 115482264
6-[1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one
CID 43483892
6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312785

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[1-(methylamino)heptyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[1-(methylamino)heptyl]-3,4-dihydroquinolin-2-one (CID 114752545) is 1-methyl-6-[1-(methylamino)heptyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[1-(methylamino)heptyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[1-(methylamino)heptyl]-3,4-dihydroquinolin-2-one is CCCCCCC(NC)c1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of 1-methyl-6-[1-(methylamino)heptyl]-3,4-dihydroquinolin-2-one?
The InChIKey is HTBWKZAOUFZLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-5-6-7-8-16(19-2)14-9-11-17-15(13-14)10-12-18(21)20(17)3/h9,11,13,16,19H,4-8,10,12H2,1-3H3.
What are the key properties of 1-methyl-6-[1-(methylamino)heptyl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[1-(methylamino)heptyl]-3,4-dihydroquinolin-2-one has a molecular weight of 288.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[1-(methylamino)heptyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 114752545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).