2-phenylbenzo[h]quinoline

C19H13N — CID 3669703

IUPAC2-phenylbenzo[h]quinoline
SMILESc1ccc(-c2ccc3ccc4ccccc4c3n2)cc1
InChIInChI=1S/C19H13N/c1-2-7-15(8-3-1)18-13-12-16-11-10-14-6-4-5-9-17(14)19(16)20-18/h1-13H
InChIKeyUICULVDHXKFDIT-UHFFFAOYSA-N
MW255.32 g/mol
LogP5.05
Rot. Bonds1

About 2-phenylbenzo[h]quinoline

2-phenylbenzo[h]quinoline (PubChem CID 3669703) has the molecular formula C19H13N and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-phenylbenzo[h]quinoline.

Molecular Properties

Compound Name2-phenylbenzo[h]quinoline
PubChem CID3669703
Molecular FormulaC19H13N
Molecular Weight255.32 g/mol
Exact Mass255.10
IUPAC Name2-phenylbenzo[h]quinoline
SMILESc1ccc(-c2ccc3ccc4ccccc4c3n2)cc1
InChIInChI=1S/C19H13N/c1-2-7-15(8-3-1)18-13-12-16-11-10-14-6-4-5-9-17(14)19(16)20-18/h1-13H
InChIKeyUICULVDHXKFDIT-UHFFFAOYSA-N
XLogP5.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.32
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-phenylbenzo[h]quinoline?
The IUPAC name of 2-phenylbenzo[h]quinoline (CID 3669703) is 2-phenylbenzo[h]quinoline.
What is the SMILES notation for 2-phenylbenzo[h]quinoline?
The canonical SMILES for 2-phenylbenzo[h]quinoline is c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1.
What is the InChIKey of 2-phenylbenzo[h]quinoline?
The InChIKey is UICULVDHXKFDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N/c1-2-7-15(8-3-1)18-13-12-16-11-10-14-6-4-5-9-17(14)19(16)20-18/h1-13H.
What are the key properties of 2-phenylbenzo[h]quinoline?
2-phenylbenzo[h]quinoline has a molecular weight of 255.32 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbenzo[h]quinoline is sourced from PubChem (CID 3669703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).