5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one

C14H15NO — CID 21282

IUPAC5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
SMILESO=c1c2c([nH]c3ccccc13)CCCCC2
InChIInChI=1S/C14H15NO/c16-14-10-6-2-1-3-8-12(10)15-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H,15,16)
InChIKeyLDMBBNQWWBTULE-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.80
Rot. Bonds

About 5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one

5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one (PubChem CID 21282) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one.

Molecular Properties

Compound Name5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
PubChem CID21282
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
SMILESO=c1c2c([nH]c3ccccc13)CCCCC2
InChIInChI=1S/C14H15NO/c16-14-10-6-2-1-3-8-12(10)15-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H,15,16)
InChIKeyLDMBBNQWWBTULE-UHFFFAOYSA-N
XLogP2.80
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 69751
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CID 2763159

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one?
The IUPAC name of 5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one (CID 21282) is 5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one.
What is the SMILES notation for 5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one?
The canonical SMILES for 5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one is O=c1c2c([nH]c3ccccc13)CCCCC2.
What is the InChIKey of 5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one?
The InChIKey is LDMBBNQWWBTULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c16-14-10-6-2-1-3-8-12(10)15-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H,15,16).
What are the key properties of 5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one?
5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one has a molecular weight of 213.28 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one is sourced from PubChem (CID 21282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).