3,4-dihydro-2H-quinolin-1-yl-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone

C24H30N2O2 — CID 10362298

IUPAC3,4-dihydro-2H-quinolin-1-yl-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
SMILESO=C(c1ccc(OCCCN2CCCCC2)cc1)N1CCCc2ccccc21
InChIInChI=1S/C24H30N2O2/c27-24(26-18-6-9-20-8-2-3-10-23(20)26)21-11-13-22(14-12-21)28-19-7-17-25-15-4-1-5-16-25/h2-3,8,10-14H,1,4-7,9,15-19H2
InChIKeyKADZZCBIHKYBMV-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.53
Rot. Bonds6

About 3,4-dihydro-2H-quinolin-1-yl-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone

3,4-dihydro-2H-quinolin-1-yl-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone (PubChem CID 10362298) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
PubChem CID10362298
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
SMILESO=C(c1ccc(OCCCN2CCCCC2)cc1)N1CCCc2ccccc21
InChIInChI=1S/C24H30N2O2/c27-24(26-18-6-9-20-8-2-3-10-23(20)26)21-11-13-22(14-12-21)28-19-7-17-25-15-4-1-5-16-25/h2-3,8,10-14H,1,4-7,9,15-19H2
InChIKeyKADZZCBIHKYBMV-UHFFFAOYSA-N
XLogP4.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroindol-1-yl-(4-heptoxyphenyl)methanone
CID 4950634
2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone
CID 17112600
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43333292
(4-fluoro-1,3-dihydroisoindol-2-yl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10091307
(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 67839485
(4-aminophenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10587836
3,4-dihydro-2H-quinolin-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone
CID 4954325
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
1-[10-[3-(3-pyrrolidin-1-ylpropoxy)benzoyl]-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-2-yl]ethanone
CID 110063770
2,3-dihydroindol-1-yl-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone
CID 22390830
[4-(1-butylpiperidin-4-yl)oxyphenyl]-(2,3-dihydroindol-1-yl)methanone
CID 141158209

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone (CID 10362298) is 3,4-dihydro-2H-quinolin-1-yl-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone is O=C(c1ccc(OCCCN2CCCCC2)cc1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone?
The InChIKey is KADZZCBIHKYBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c27-24(26-18-6-9-20-8-2-3-10-23(20)26)21-11-13-22(14-12-21)28-19-7-17-25-15-4-1-5-16-25/h2-3,8,10-14H,1,4-7,9,15-19H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone has a molecular weight of 378.52 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone is sourced from PubChem (CID 10362298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).