4H-cyclohepta[f]quinoline

C14H11N — CID 87079834

IUPAC4H-cyclohepta[f]quinoline
SMILESC1=CC=c2c(ccc3c2=CC=CN3)C=C1
InChIInChI=1S/C14H11N/c1-2-5-11-8-9-14-13(7-4-10-15-14)12(11)6-3-1/h1-10,15H
InChIKeyXYNHQVIVVBWVAG-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.77
Rot. Bonds

About 4H-cyclohepta[f]quinoline

4H-cyclohepta[f]quinoline (PubChem CID 87079834) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is 4H-cyclohepta[f]quinoline.

Molecular Properties

Compound Name4H-cyclohepta[f]quinoline
PubChem CID87079834
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Name4H-cyclohepta[f]quinoline
SMILESC1=CC=c2c(ccc3c2=CC=CN3)C=C1
InChIInChI=1S/C14H11N/c1-2-5-11-8-9-14-13(7-4-10-15-14)12(11)6-3-1/h1-10,15H
InChIKeyXYNHQVIVVBWVAG-UHFFFAOYSA-N
XLogP1.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4H-cyclohepta[f]quinoline?
The IUPAC name of 4H-cyclohepta[f]quinoline (CID 87079834) is 4H-cyclohepta[f]quinoline.
What is the SMILES notation for 4H-cyclohepta[f]quinoline?
The canonical SMILES for 4H-cyclohepta[f]quinoline is C1=CC=c2c(ccc3c2=CC=CN3)C=C1.
What is the InChIKey of 4H-cyclohepta[f]quinoline?
The InChIKey is XYNHQVIVVBWVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c1-2-5-11-8-9-14-13(7-4-10-15-14)12(11)6-3-1/h1-10,15H.
What are the key properties of 4H-cyclohepta[f]quinoline?
4H-cyclohepta[f]quinoline has a molecular weight of 193.25 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-cyclohepta[f]quinoline is sourced from PubChem (CID 87079834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).