6-[1-(propylamino)hexyl]-3,4-dihydro-1H-quinolin-2-one

C18H28N2O — CID 43496187

IUPAC6-[1-(propylamino)hexyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCCC(NCCC)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H28N2O/c1-3-5-6-7-16(19-12-4-2)14-8-10-17-15(13-14)9-11-18(21)20-17/h8,10,13,16,19H,3-7,9,11-12H2,1-2H3,(H,20,21)
InChIKeyCYYKJTBCWBFLFN-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.19
Rot. Bonds8

About 6-[1-(propylamino)hexyl]-3,4-dihydro-1H-quinolin-2-one

6-[1-(propylamino)hexyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43496187) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 6-[1-(propylamino)hexyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[1-(propylamino)hexyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43496187
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name6-[1-(propylamino)hexyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCCC(NCCC)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H28N2O/c1-3-5-6-7-16(19-12-4-2)14-8-10-17-15(13-14)9-11-18(21)20-17/h8,10,13,16,19H,3-7,9,11-12H2,1-2H3,(H,20,21)
InChIKeyCYYKJTBCWBFLFN-UHFFFAOYSA-N
XLogP4.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one
CID 43483892
6-[1-(ethylamino)butyl]-3,4-dihydro-1H-quinolin-2-one
CID 43490895
7-[1-(methylamino)heptyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 114752371
N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 43494268
6-[1-(propylamino)pentyl]-4H-1,4-benzoxazin-3-one
CID 43497611
6-[1-(methylamino)-3-sulfanylpropyl]-3,4-dihydro-1H-quinolin-2-one
CID 116831398
5-[3,3-dimethyl-1-(propylamino)butyl]-1,3-dihydroindol-2-one
CID 43496647
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-propylhexan-1-amine
CID 63506701
7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61082820
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116964107
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028

Frequently Asked Questions

What is the IUPAC name of 6-[1-(propylamino)hexyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[1-(propylamino)hexyl]-3,4-dihydro-1H-quinolin-2-one (CID 43496187) is 6-[1-(propylamino)hexyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[1-(propylamino)hexyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[1-(propylamino)hexyl]-3,4-dihydro-1H-quinolin-2-one is CCCCCC(NCCC)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[1-(propylamino)hexyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CYYKJTBCWBFLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-5-6-7-16(19-12-4-2)14-8-10-17-15(13-14)9-11-18(21)20-17/h8,10,13,16,19H,3-7,9,11-12H2,1-2H3,(H,20,21).
What are the key properties of 6-[1-(propylamino)hexyl]-3,4-dihydro-1H-quinolin-2-one?
6-[1-(propylamino)hexyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 288.44 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(propylamino)hexyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43496187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).