1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one

C17H26N2O — CID 82260070

IUPAC1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCc2cc(CCCCN)ccc21
InChIInChI=1S/C17H26N2O/c1-2-6-17(20)19-12-5-8-15-13-14(7-3-4-11-18)9-10-16(15)19/h9-10,13H,2-8,11-12,18H2,1H3
InChIKeyPWCOPTHTGKZTSC-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.05
Rot. Bonds6

About 1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one

1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one (PubChem CID 82260070) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
PubChem CID82260070
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCc2cc(CCCCN)ccc21
InChIInChI=1S/C17H26N2O/c1-2-6-17(20)19-12-5-8-15-13-14(7-3-4-11-18)9-10-16(15)19/h9-10,13H,2-8,11-12,18H2,1H3
InChIKeyPWCOPTHTGKZTSC-UHFFFAOYSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one with MolForge

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Related Compounds

[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(4-butylcyclohexyl)methanone
CID 82260079
1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 95414968
4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one
CID 82340972
5-[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]pentanoic acid
CID 95414286
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride
CID 119286836
4-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]butanoic acid
CID 82260139
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
1-butanoyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride
CID 82021448
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82259061
3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine
CID 170867536
7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one
CID 119783373

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one?
The IUPAC name of 1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one (CID 82260070) is 1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one.
What is the SMILES notation for 1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one?
The canonical SMILES for 1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one is CCCC(=O)N1CCCc2cc(CCCCN)ccc21.
What is the InChIKey of 1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one?
The InChIKey is PWCOPTHTGKZTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-6-17(20)19-12-5-8-15-13-14(7-3-4-11-18)9-10-16(15)19/h9-10,13H,2-8,11-12,18H2,1H3.
What are the key properties of 1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one?
1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one has a molecular weight of 274.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one is sourced from PubChem (CID 82260070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).