6-phenyl-7H-cyclohepta[c]quinoline

C20H15N — CID 139394582

IUPAC6-phenyl-7H-cyclohepta[c]quinoline
SMILESC1=CCc2c(-c3ccccc3)nc3ccccc3c2C=C1
InChIInChI=1S/C20H15N/c1-3-9-15(10-4-1)20-18-13-6-2-5-11-16(18)17-12-7-8-14-19(17)21-20/h1-12,14H,13H2
InChIKeyNOEQRSZUYHCGBK-UHFFFAOYSA-N
MW269.35 g/mol
LogP5.03
Rot. Bonds1

About 6-phenyl-7H-cyclohepta[c]quinoline

6-phenyl-7H-cyclohepta[c]quinoline (PubChem CID 139394582) has the molecular formula C20H15N and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-phenyl-7H-cyclohepta[c]quinoline.

Molecular Properties

Compound Name6-phenyl-7H-cyclohepta[c]quinoline
PubChem CID139394582
Molecular FormulaC20H15N
Molecular Weight269.35 g/mol
Exact Mass269.12
IUPAC Name6-phenyl-7H-cyclohepta[c]quinoline
SMILESC1=CCc2c(-c3ccccc3)nc3ccccc3c2C=C1
InChIInChI=1S/C20H15N/c1-3-9-15(10-4-1)20-18-13-6-2-5-11-16(18)17-12-7-8-14-19(17)21-20/h1-12,14H,13H2
InChIKeyNOEQRSZUYHCGBK-UHFFFAOYSA-N
XLogP5.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.35
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-7H-cyclohepta[c]quinoline?
The IUPAC name of 6-phenyl-7H-cyclohepta[c]quinoline (CID 139394582) is 6-phenyl-7H-cyclohepta[c]quinoline.
What is the SMILES notation for 6-phenyl-7H-cyclohepta[c]quinoline?
The canonical SMILES for 6-phenyl-7H-cyclohepta[c]quinoline is C1=CCc2c(-c3ccccc3)nc3ccccc3c2C=C1.
What is the InChIKey of 6-phenyl-7H-cyclohepta[c]quinoline?
The InChIKey is NOEQRSZUYHCGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N/c1-3-9-15(10-4-1)20-18-13-6-2-5-11-16(18)17-12-7-8-14-19(17)21-20/h1-12,14H,13H2.
What are the key properties of 6-phenyl-7H-cyclohepta[c]quinoline?
6-phenyl-7H-cyclohepta[c]quinoline has a molecular weight of 269.35 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-7H-cyclohepta[c]quinoline is sourced from PubChem (CID 139394582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).