3-fluoro-4-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one

C15H16FNO — CID 55202057

IUPAC3-fluoro-4-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
SMILESCc1c(F)ccc2c(=O)c3c([nH]c12)CCCCC3
InChIInChI=1S/C15H16FNO/c1-9-12(16)8-7-11-14(9)17-13-6-4-2-3-5-10(13)15(11)18/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyUSIGWXGFAQAXBA-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.24
Rot. Bonds

About 3-fluoro-4-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one

3-fluoro-4-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one (PubChem CID 55202057) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-fluoro-4-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one.

Molecular Properties

Compound Name3-fluoro-4-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
PubChem CID55202057
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name3-fluoro-4-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
SMILESCc1c(F)ccc2c(=O)c3c([nH]c12)CCCCC3
InChIInChI=1S/C15H16FNO/c1-9-12(16)8-7-11-14(9)17-13-6-4-2-3-5-10(13)15(11)18/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyUSIGWXGFAQAXBA-UHFFFAOYSA-N
XLogP3.24
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one?
The IUPAC name of 3-fluoro-4-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one (CID 55202057) is 3-fluoro-4-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one.
What is the SMILES notation for 3-fluoro-4-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one?
The canonical SMILES for 3-fluoro-4-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one is Cc1c(F)ccc2c(=O)c3c([nH]c12)CCCCC3.
What is the InChIKey of 3-fluoro-4-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one?
The InChIKey is USIGWXGFAQAXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-9-12(16)8-7-11-14(9)17-13-6-4-2-3-5-10(13)15(11)18/h7-8H,2-6H2,1H3,(H,17,18).
What are the key properties of 3-fluoro-4-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one?
3-fluoro-4-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one has a molecular weight of 245.30 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one is sourced from PubChem (CID 55202057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).