1-[2-methyl-3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydroquinolin-2-one

C25H38N2O — CID 68908794

IUPAC1-[2-methyl-3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydroquinolin-2-one
SMILESCCCCCC1CC2CCC(C1)N2CC(C)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C25H38N2O/c1-3-4-5-8-20-15-22-12-13-23(16-20)26(22)17-19(2)18-27-24-10-7-6-9-21(24)11-14-25(27)28/h6-7,9-10,19-20,22-23H,3-5,8,11-18H2,1-2H3
InChIKeyFXQRTOMQCLGBMI-UHFFFAOYSA-N
MW382.59 g/mol
LogP5.43
Rot. Bonds8

About 1-[2-methyl-3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydroquinolin-2-one

1-[2-methyl-3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydroquinolin-2-one (PubChem CID 68908794) has the molecular formula C25H38N2O and a molecular weight of 382.59 g/mol. Its IUPAC name is 1-[2-methyl-3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[2-methyl-3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydroquinolin-2-one
PubChem CID68908794
Molecular FormulaC25H38N2O
Molecular Weight382.59 g/mol
Exact Mass382.30
IUPAC Name1-[2-methyl-3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydroquinolin-2-one
SMILESCCCCCC1CC2CCC(C1)N2CC(C)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C25H38N2O/c1-3-4-5-8-20-15-22-12-13-23(16-20)26(22)17-19(2)18-27-24-10-7-6-9-21(24)11-14-25(27)28/h6-7,9-10,19-20,22-23H,3-5,8,11-18H2,1-2H3
InChIKeyFXQRTOMQCLGBMI-UHFFFAOYSA-N
XLogP5.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-methyl-3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydroquinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R)-3-(3-butyl-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropyl]-3,4-dihydroquinolin-2-one
CID 68913194
1-[3-[(5R)-3-butyl-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-3,4-dihydroquinolin-2-one
CID 68913192
7-fluoro-4-[(2R)-2-methyl-3-[(5S)-3-pentyl-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,4-benzoxazin-3-one
CID 69059428
6,7-difluoro-4-[2-methyl-3-[(1R,5S)-3-pentyl-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,4-benzoxazin-3-one
CID 68908117
4-[3-[(1R,5S)-3-(2-ethoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one
CID 68910962
2-[3-[8-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]propyl]-1,2-oxazolidin-3-one
CID 146627408
1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
CID 103935304
1-hexyl-3,4-dihydroquinolin-2-one
CID 91805726
4-[(2R)-2-hydroxy-3-[(5S)-3-pentyl-8-bicyclo[3.2.1]octanyl]propyl]-1,4-benzoxazin-3-one
CID 68912783
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
1-[2-cyclopropyl-2-(ethylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 63915018
ethyl 3-hydroxy-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoate
CID 82778791

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[2-methyl-3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydroquinolin-2-one (CID 68908794) is 1-[2-methyl-3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[2-methyl-3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[2-methyl-3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydroquinolin-2-one is CCCCCC1CC2CCC(C1)N2CC(C)CN1C(=O)CCc2ccccc21.
What is the InChIKey of 1-[2-methyl-3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydroquinolin-2-one?
The InChIKey is FXQRTOMQCLGBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O/c1-3-4-5-8-20-15-22-12-13-23(16-20)26(22)17-19(2)18-27-24-10-7-6-9-21(24)11-14-25(27)28/h6-7,9-10,19-20,22-23H,3-5,8,11-18H2,1-2H3.
What are the key properties of 1-[2-methyl-3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydroquinolin-2-one?
1-[2-methyl-3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 382.59 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 68908794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).