3-quinolin-7-ylcyclohept-2-en-1-one

C16H15NO — CID 107382694

IUPAC3-quinolin-7-ylcyclohept-2-en-1-one
SMILESO=C1C=C(c2ccc3cccnc3c2)CCCC1
InChIInChI=1S/C16H15NO/c18-15-6-2-1-4-13(10-15)14-8-7-12-5-3-9-17-16(12)11-14/h3,5,7-11H,1-2,4,6H2
InChIKeyOTERAAOBJYALQB-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.76
Rot. Bonds1

About 3-quinolin-7-ylcyclohept-2-en-1-one

3-quinolin-7-ylcyclohept-2-en-1-one (PubChem CID 107382694) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-quinolin-7-ylcyclohept-2-en-1-one.

Molecular Properties

Compound Name3-quinolin-7-ylcyclohept-2-en-1-one
PubChem CID107382694
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name3-quinolin-7-ylcyclohept-2-en-1-one
SMILESO=C1C=C(c2ccc3cccnc3c2)CCCC1
InChIInChI=1S/C16H15NO/c18-15-6-2-1-4-13(10-15)14-8-7-12-5-3-9-17-16(12)11-14/h3,5,7-11H,1-2,4,6H2
InChIKeyOTERAAOBJYALQB-UHFFFAOYSA-N
XLogP3.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-quinolin-7-ylcyclohept-2-en-1-one?
The IUPAC name of 3-quinolin-7-ylcyclohept-2-en-1-one (CID 107382694) is 3-quinolin-7-ylcyclohept-2-en-1-one.
What is the SMILES notation for 3-quinolin-7-ylcyclohept-2-en-1-one?
The canonical SMILES for 3-quinolin-7-ylcyclohept-2-en-1-one is O=C1C=C(c2ccc3cccnc3c2)CCCC1.
What is the InChIKey of 3-quinolin-7-ylcyclohept-2-en-1-one?
The InChIKey is OTERAAOBJYALQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-15-6-2-1-4-13(10-15)14-8-7-12-5-3-9-17-16(12)11-14/h3,5,7-11H,1-2,4,6H2.
What are the key properties of 3-quinolin-7-ylcyclohept-2-en-1-one?
3-quinolin-7-ylcyclohept-2-en-1-one has a molecular weight of 237.30 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-7-ylcyclohept-2-en-1-one is sourced from PubChem (CID 107382694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).