benzo[f]quinoline

C13H9N — CID 6796

IUPACbenzo[f]quinoline
SMILESc1ccc2c(c1)ccc1ncccc12
InChIInChI=1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H
InChIKeyHCAUQPZEWLULFJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP3.39
Rot. Bonds

About benzo[f]quinoline

benzo[f]quinoline (PubChem CID 6796) has the molecular formula C13H9N and a molecular weight of 179.22 g/mol. Its IUPAC name is benzo[f]quinoline.

Molecular Properties

Compound Namebenzo[f]quinoline
PubChem CID6796
Molecular FormulaC13H9N
Molecular Weight179.22 g/mol
Exact Mass179.07
IUPAC Namebenzo[f]quinoline
SMILESc1ccc2c(c1)ccc1ncccc12
InChIInChI=1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H
InChIKeyHCAUQPZEWLULFJ-UHFFFAOYSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 53.39
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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Related Compounds

Quinoline
CID 7047
Benz(c)acridine
CID 9181
6-Methylquinoline
CID 7059
Isoquinoline
CID 8405
Ellipticine
CID 3213
4-Methylquinoline
CID 10285
Dibenz(a,j)acridine
CID 9177
DIBENZ(a,h)ACRIDINE
CID 9183
8-Methylquinoline
CID 11910
2,6-Dimethylquinoline
CID 13414
1,7-Phenanthroline
CID 67473
5-Aminoisoquinoline
CID 70766

Frequently Asked Questions

What is the IUPAC name of benzo[f]quinoline?
The IUPAC name of benzo[f]quinoline (CID 6796) is benzo[f]quinoline.
What is the SMILES notation for benzo[f]quinoline?
The canonical SMILES for benzo[f]quinoline is c1ccc2c(c1)ccc1ncccc12.
What is the InChIKey of benzo[f]quinoline?
The InChIKey is HCAUQPZEWLULFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H.
What are the key properties of benzo[f]quinoline?
benzo[f]quinoline has a molecular weight of 179.22 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f]quinoline is sourced from PubChem (CID 6796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).