3-(3-pyridin-2-ylphenyl)benzo[h]quinoline

C24H16N2 — CID 176728682

IUPAC3-(3-pyridin-2-ylphenyl)benzo[h]quinoline
SMILESc1ccc(-c2cccc(-c3cnc4c(ccc5ccccc54)c3)c2)nc1
InChIInChI=1S/C24H16N2/c1-2-9-22-17(6-1)11-12-20-15-21(16-26-24(20)22)18-7-5-8-19(14-18)23-10-3-4-13-25-23/h1-16H
InChIKeyVEQHVRIZAIDVIB-UHFFFAOYSA-N
MW332.41 g/mol
LogP6.12
Rot. Bonds2

About 3-(3-pyridin-2-ylphenyl)benzo[h]quinoline

3-(3-pyridin-2-ylphenyl)benzo[h]quinoline (PubChem CID 176728682) has the molecular formula C24H16N2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-(3-pyridin-2-ylphenyl)benzo[h]quinoline.

Molecular Properties

Compound Name3-(3-pyridin-2-ylphenyl)benzo[h]quinoline
PubChem CID176728682
Molecular FormulaC24H16N2
Molecular Weight332.41 g/mol
Exact Mass332.13
IUPAC Name3-(3-pyridin-2-ylphenyl)benzo[h]quinoline
SMILESc1ccc(-c2cccc(-c3cnc4c(ccc5ccccc54)c3)c2)nc1
InChIInChI=1S/C24H16N2/c1-2-9-22-17(6-1)11-12-20-15-21(16-26-24(20)22)18-7-5-8-19(14-18)23-10-3-4-13-25-23/h1-16H
InChIKeyVEQHVRIZAIDVIB-UHFFFAOYSA-N
XLogP6.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(3-pyridin-2-ylphenyl)benzo[h]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

3-(2-pyridin-2-yl-1-benzothiophen-5-yl)benzo[h]quinoline
CID 123584369
3-(2-pyridin-2-yl-1-benzothiophen-6-yl)benzo[h]quinoline
CID 126560893
3-[2-(3-phenanthren-3-ylphenyl)-6-quinolin-8-yl-4-pyridinyl]-1,10-phenanthroline
CID 171460024
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167600
2-[3-[3-[3-[2-(naphthalen-1-ylmethyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 163572146
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
22-(3-pyridin-2-ylphenyl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene
CID 140920150
2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine
CID 118487396
2,6-diphenyl-4-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine
CID 140587116
tris(2-[3-(3-fluorophenyl)phenyl]pyridine);iridium
CID 158235449

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-2-ylphenyl)benzo[h]quinoline?
The IUPAC name of 3-(3-pyridin-2-ylphenyl)benzo[h]quinoline (CID 176728682) is 3-(3-pyridin-2-ylphenyl)benzo[h]quinoline.
What is the SMILES notation for 3-(3-pyridin-2-ylphenyl)benzo[h]quinoline?
The canonical SMILES for 3-(3-pyridin-2-ylphenyl)benzo[h]quinoline is c1ccc(-c2cccc(-c3cnc4c(ccc5ccccc54)c3)c2)nc1.
What is the InChIKey of 3-(3-pyridin-2-ylphenyl)benzo[h]quinoline?
The InChIKey is VEQHVRIZAIDVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2/c1-2-9-22-17(6-1)11-12-20-15-21(16-26-24(20)22)18-7-5-8-19(14-18)23-10-3-4-13-25-23/h1-16H.
What are the key properties of 3-(3-pyridin-2-ylphenyl)benzo[h]quinoline?
3-(3-pyridin-2-ylphenyl)benzo[h]quinoline has a molecular weight of 332.41 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-2-ylphenyl)benzo[h]quinoline is sourced from PubChem (CID 176728682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).