3,6-dihydro-2H-pyridin-1-yl-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone

C23H29N3O2 — CID 67317423

IUPAC3,6-dihydro-2H-pyridin-1-yl-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
SMILESO=C(c1ccc2cccc(OCCCN3CCCCC3)c2n1)N1CC=CCC1
InChIInChI=1S/C23H29N3O2/c27-23(26-16-5-2-6-17-26)20-12-11-19-9-7-10-21(22(19)24-20)28-18-8-15-25-13-3-1-4-14-25/h2,5,7,9-12H,1,3-4,6,8,13-18H2
InChIKeyIVSCSZUEYADDJS-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.89
Rot. Bonds6

About 3,6-dihydro-2H-pyridin-1-yl-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone

3,6-dihydro-2H-pyridin-1-yl-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone (PubChem CID 67317423) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-yl-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-yl-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
PubChem CID67317423
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3,6-dihydro-2H-pyridin-1-yl-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
SMILESO=C(c1ccc2cccc(OCCCN3CCCCC3)c2n1)N1CC=CCC1
InChIInChI=1S/C23H29N3O2/c27-23(26-16-5-2-6-17-26)20-12-11-19-9-7-10-21(22(19)24-20)28-18-8-15-25-13-3-1-4-14-25/h2,5,7,9-12H,1,3-4,6,8,13-18H2
InChIKeyIVSCSZUEYADDJS-UHFFFAOYSA-N
XLogP3.89
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,6-dihydro-2H-pyridin-1-yl-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,4-difluoropiperidin-1-yl)-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
CID 67317576
N-tert-butyl-1-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanimine oxide
CID 169323667
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one
CID 142037946
morpholin-4-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
CID 11516523
(1,1-dioxo-1,4-thiazinan-4-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
CID 11539264
methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine
CID 160697643
2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid
CID 11108172
4-(3-pyrrolidin-1-ylpropoxy)-1,3-benzothiazol-2-amine
CID 175835761
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
1-[3-(2-bromophenoxy)propyl]azepane
CID 2195329
2-(3-pyrrolidin-1-ylpropoxy)quinoline
CID 141047527

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone (CID 67317423) is 3,6-dihydro-2H-pyridin-1-yl-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone.
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-yl-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-yl-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone is O=C(c1ccc2cccc(OCCCN3CCCCC3)c2n1)N1CC=CCC1.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-yl-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone?
The InChIKey is IVSCSZUEYADDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-23(26-16-5-2-6-17-26)20-12-11-19-9-7-10-21(22(19)24-20)28-18-8-15-25-13-3-1-4-14-25/h2,5,7,9-12H,1,3-4,6,8,13-18H2.
What are the key properties of 3,6-dihydro-2H-pyridin-1-yl-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone?
3,6-dihydro-2H-pyridin-1-yl-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone has a molecular weight of 379.50 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-yl-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone is sourced from PubChem (CID 67317423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).