3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]quinoline

C25H24N2 — CID 10784214

IUPAC3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]quinoline
SMILESC(#Cc1cnc2ccccc2c1)CCCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C25H24N2/c1-4-10-22(11-5-1)23-14-17-27(18-15-23)16-8-2-3-9-21-19-24-12-6-7-13-25(24)26-20-21/h1,4-7,10-14,19-20H,2,8,15-18H2
InChIKeyJJHFMCIAAKWGHM-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.16
Rot. Bonds4

About 3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]quinoline

3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]quinoline (PubChem CID 10784214) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]quinoline.

Molecular Properties

Compound Name3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]quinoline
PubChem CID10784214
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]quinoline
SMILESC(#Cc1cnc2ccccc2c1)CCCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C25H24N2/c1-4-10-22(11-5-1)23-14-17-27(18-15-23)16-8-2-3-9-21-19-24-12-6-7-13-25(24)26-20-21/h1,4-7,10-14,19-20H,2,8,15-18H2
InChIKeyJJHFMCIAAKWGHM-UHFFFAOYSA-N
XLogP5.16
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]quinoline 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

Quinoline
CID 7047
Pheniramine
CID 4761
Acridine
CID 9215
6-Methylquinoline
CID 7059
Acridine Orange Base
CID 62344
4,7-Diphenyl-1,10-phenanthroline
CID 72812
4-Methylquinoline
CID 10285
Benzo(F)Quinoline
CID 6796
8-Methylquinoline
CID 11910
1,7-Phenanthroline
CID 67473
2-Phenylquinoline
CID 71545
3-Aminoquinoline
CID 11375

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]quinoline?
The IUPAC name of 3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]quinoline (CID 10784214) is 3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]quinoline.
What is the SMILES notation for 3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]quinoline?
The canonical SMILES for 3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]quinoline is C(#Cc1cnc2ccccc2c1)CCCN1CC=C(c2ccccc2)CC1.
What is the InChIKey of 3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]quinoline?
The InChIKey is JJHFMCIAAKWGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2/c1-4-10-22(11-5-1)23-14-17-27(18-15-23)16-8-2-3-9-21-19-24-12-6-7-13-25(24)26-20-21/h1,4-7,10-14,19-20H,2,8,15-18H2.
What are the key properties of 3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]quinoline?
3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]quinoline has a molecular weight of 352.48 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]quinoline is sourced from PubChem (CID 10784214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).