4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one

C14H13BrFNO — CID 107628071

IUPAC4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
SMILESO=c1c2c([nH]c3c(Br)ccc(F)c13)CCCCC2
InChIInChI=1S/C14H13BrFNO/c15-9-6-7-10(16)12-13(9)17-11-5-3-1-2-4-8(11)14(12)18/h6-7H,1-5H2,(H,17,18)
InChIKeyVYFBZIGMQCODEE-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.70
Rot. Bonds

About 4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one

4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one (PubChem CID 107628071) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one.

Molecular Properties

Compound Name4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
PubChem CID107628071
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
SMILESO=c1c2c([nH]c3c(Br)ccc(F)c13)CCCCC2
InChIInChI=1S/C14H13BrFNO/c15-9-6-7-10(16)12-13(9)17-11-5-3-1-2-4-8(11)14(12)18/h6-7H,1-5H2,(H,17,18)
InChIKeyVYFBZIGMQCODEE-UHFFFAOYSA-N
XLogP3.70
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one with MolForge

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Related Compounds

8-bromo-5,7-difluoro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
CID 102854731
5-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 61382730
3-fluoro-4-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 55202057
8-bromo-5-chloro-2,3,4,9-tetrahydro-1H-carbazole
CID 155399075
8-bromo-5-methoxy-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
CID 54967458
8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one
CID 107628096
7-chloro-5-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 61382713
2-bromo-3,4-dichloro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 107792833
5-fluoro-7-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 61382722
7-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 139234350
4-bromo-3-fluoro-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
CID 130362929
6,8-dichloro-7-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 107577450

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one?
The IUPAC name of 4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one (CID 107628071) is 4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one.
What is the SMILES notation for 4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one?
The canonical SMILES for 4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one is O=c1c2c([nH]c3c(Br)ccc(F)c13)CCCCC2.
What is the InChIKey of 4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one?
The InChIKey is VYFBZIGMQCODEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-9-6-7-10(16)12-13(9)17-11-5-3-1-2-4-8(11)14(12)18/h6-7H,1-5H2,(H,17,18).
What are the key properties of 4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one?
4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one has a molecular weight of 310.17 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one is sourced from PubChem (CID 107628071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).