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

C24H38N2O — CID 82260079

IUPAC[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(4-butylcyclohexyl)methanone
SMILESCCCCC1CCC(C(=O)N2CCCc3cc(CCCCN)ccc32)CC1
InChIInChI=1S/C24H38N2O/c1-2-3-7-19-10-13-21(14-11-19)24(27)26-17-6-9-22-18-20(8-4-5-16-25)12-15-23(22)26/h12,15,18-19,21H,2-11,13-14,16-17,25H2,1H3
InChIKeyXKIBBQGSKZTAQO-UHFFFAOYSA-N
MW370.58 g/mol
LogP5.24
Rot. Bonds8

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

[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(4-butylcyclohexyl)methanone (PubChem CID 82260079) has the molecular formula C24H38N2O and a molecular weight of 370.58 g/mol. Its IUPAC name is [6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(4-butylcyclohexyl)methanone.

Molecular Properties

Compound Name[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(4-butylcyclohexyl)methanone
PubChem CID82260079
Molecular FormulaC24H38N2O
Molecular Weight370.58 g/mol
Exact Mass370.30
IUPAC Name[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(4-butylcyclohexyl)methanone
SMILESCCCCC1CCC(C(=O)N2CCCc3cc(CCCCN)ccc32)CC1
InChIInChI=1S/C24H38N2O/c1-2-3-7-19-10-13-21(14-11-19)24(27)26-17-6-9-22-18-20(8-4-5-16-25)12-15-23(22)26/h12,15,18-19,21H,2-11,13-14,16-17,25H2,1H3
InChIKeyXKIBBQGSKZTAQO-UHFFFAOYSA-N
XLogP5.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 55.24
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

1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82260070
[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82259205
[6-(2-chloroethyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82260536
[5-(2-bromo-4-methylpentyl)-2,3-dihydroindol-1-yl]-(4-butylcyclohexyl)methanone
CID 82259504
[6-(2-aminopentyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82259904
1-[1-(4-butylcyclohexanecarbonyl)-2,3-dihydroindol-5-yl]-4-chlorobutan-1-one
CID 82259134
2-bromo-1-[1-(4-butylcyclohexanecarbonyl)-2,3-dihydroindol-5-yl]-3-methylbutan-1-one
CID 82258873
5-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]pentanoic acid
CID 82260166
[5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 82260509
3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine
CID 170867536
6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 28785717
(4-butylcyclohexyl)-[2-methyl-5-(2-piperazin-1-ylethyl)-2,3-dihydroindol-1-yl]methanone
CID 82260579

Frequently Asked Questions

What is the IUPAC name of [6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(4-butylcyclohexyl)methanone?
The IUPAC name of [6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(4-butylcyclohexyl)methanone (CID 82260079) is [6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(4-butylcyclohexyl)methanone.
What is the SMILES notation for [6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(4-butylcyclohexyl)methanone?
The canonical SMILES for [6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(4-butylcyclohexyl)methanone is CCCCC1CCC(C(=O)N2CCCc3cc(CCCCN)ccc32)CC1.
What is the InChIKey of [6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(4-butylcyclohexyl)methanone?
The InChIKey is XKIBBQGSKZTAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O/c1-2-3-7-19-10-13-21(14-11-19)24(27)26-17-6-9-22-18-20(8-4-5-16-25)12-15-23(22)26/h12,15,18-19,21H,2-11,13-14,16-17,25H2,1H3.
What are the key properties of [6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(4-butylcyclohexyl)methanone?
[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(4-butylcyclohexyl)methanone has a molecular weight of 370.58 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(4-butylcyclohexyl)methanone is sourced from PubChem (CID 82260079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).