1-phenyl-3-pyridin-4-ylbenzo[f]quinoline;hydrochloride

C24H17ClN2 — CID 12004700

IUPAC1-phenyl-3-pyridin-4-ylbenzo[f]quinoline;hydrochloride
SMILESCl.c1ccc(-c2cc(-c3ccncc3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C24H16N2.ClH/c1-2-6-17(7-3-1)21-16-23(19-12-14-25-15-13-19)26-22-11-10-18-8-4-5-9-20(18)24(21)22;/h1-16H;1H
InChIKeyIPCCTARICWFGHM-UHFFFAOYSA-N
MW368.87 g/mol
LogP6.54
Rot. Bonds2

About 1-phenyl-3-pyridin-4-ylbenzo[f]quinoline;hydrochloride

1-phenyl-3-pyridin-4-ylbenzo[f]quinoline;hydrochloride (PubChem CID 12004700) has the molecular formula C24H17ClN2 and a molecular weight of 368.87 g/mol. Its IUPAC name is 1-phenyl-3-pyridin-4-ylbenzo[f]quinoline;hydrochloride.

Molecular Properties

Compound Name1-phenyl-3-pyridin-4-ylbenzo[f]quinoline;hydrochloride
PubChem CID12004700
Molecular FormulaC24H17ClN2
Molecular Weight368.87 g/mol
Exact Mass368.11
IUPAC Name1-phenyl-3-pyridin-4-ylbenzo[f]quinoline;hydrochloride
SMILESCl.c1ccc(-c2cc(-c3ccncc3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C24H16N2.ClH/c1-2-6-17(7-3-1)21-16-23(19-12-14-25-15-13-19)26-22-11-10-18-8-4-5-9-20(18)24(21)22;/h1-16H;1H
InChIKeyIPCCTARICWFGHM-UHFFFAOYSA-N
XLogP6.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.87
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-pyridin-4-ylbenzo[f]quinoline;hydrochloride?
The IUPAC name of 1-phenyl-3-pyridin-4-ylbenzo[f]quinoline;hydrochloride (CID 12004700) is 1-phenyl-3-pyridin-4-ylbenzo[f]quinoline;hydrochloride.
What is the SMILES notation for 1-phenyl-3-pyridin-4-ylbenzo[f]quinoline;hydrochloride?
The canonical SMILES for 1-phenyl-3-pyridin-4-ylbenzo[f]quinoline;hydrochloride is Cl.c1ccc(-c2cc(-c3ccncc3)nc3ccc4ccccc4c23)cc1.
What is the InChIKey of 1-phenyl-3-pyridin-4-ylbenzo[f]quinoline;hydrochloride?
The InChIKey is IPCCTARICWFGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2.ClH/c1-2-6-17(7-3-1)21-16-23(19-12-14-25-15-13-19)26-22-11-10-18-8-4-5-9-20(18)24(21)22;/h1-16H;1H.
What are the key properties of 1-phenyl-3-pyridin-4-ylbenzo[f]quinoline;hydrochloride?
1-phenyl-3-pyridin-4-ylbenzo[f]quinoline;hydrochloride has a molecular weight of 368.87 g/mol, XLogP of 6.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-pyridin-4-ylbenzo[f]quinoline;hydrochloride is sourced from PubChem (CID 12004700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).