2-cyclohexa-1,5-dien-1-ylquinoline

C15H13N — CID 135198971

IUPAC2-cyclohexa-1,5-dien-1-ylquinoline
SMILESC1=CC(c2ccc3ccccc3n2)=CCC1
InChIInChI=1S/C15H13N/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h2,4-11H,1,3H2
InChIKeyMFZIBCFALBOAKL-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.97
Rot. Bonds1

About 2-cyclohexa-1,5-dien-1-ylquinoline

2-cyclohexa-1,5-dien-1-ylquinoline (PubChem CID 135198971) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-ylquinoline.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-ylquinoline
PubChem CID135198971
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name2-cyclohexa-1,5-dien-1-ylquinoline
SMILESC1=CC(c2ccc3ccccc3n2)=CCC1
InChIInChI=1S/C15H13N/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h2,4-11H,1,3H2
InChIKeyMFZIBCFALBOAKL-UHFFFAOYSA-N
XLogP3.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-ylquinoline?
The IUPAC name of 2-cyclohexa-1,5-dien-1-ylquinoline (CID 135198971) is 2-cyclohexa-1,5-dien-1-ylquinoline.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-ylquinoline?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-ylquinoline is C1=CC(c2ccc3ccccc3n2)=CCC1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-ylquinoline?
The InChIKey is MFZIBCFALBOAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h2,4-11H,1,3H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-ylquinoline?
2-cyclohexa-1,5-dien-1-ylquinoline has a molecular weight of 207.28 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-ylquinoline is sourced from PubChem (CID 135198971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).