2-(4-bromo-3H-inden-1-yl)-5-fluoroquinoline

C18H11BrFN — CID 162251519

IUPAC2-(4-bromo-3H-inden-1-yl)-5-fluoroquinoline
SMILESFc1cccc2nc(C3=CCc4c(Br)cccc43)ccc12
InChIInChI=1S/C18H11BrFN/c19-15-4-1-3-11-12(15)7-8-13(11)18-10-9-14-16(20)5-2-6-17(14)21-18/h1-6,8-10H,7H2
InChIKeyZYBCBQXJMXJXKP-UHFFFAOYSA-N
MW340.20 g/mol
LogP5.12
Rot. Bonds1

About 2-(4-bromo-3H-inden-1-yl)-5-fluoroquinoline

2-(4-bromo-3H-inden-1-yl)-5-fluoroquinoline (PubChem CID 162251519) has the molecular formula C18H11BrFN and a molecular weight of 340.20 g/mol. Its IUPAC name is 2-(4-bromo-3H-inden-1-yl)-5-fluoroquinoline.

Molecular Properties

Compound Name2-(4-bromo-3H-inden-1-yl)-5-fluoroquinoline
PubChem CID162251519
Molecular FormulaC18H11BrFN
Molecular Weight340.20 g/mol
Exact Mass339.01
IUPAC Name2-(4-bromo-3H-inden-1-yl)-5-fluoroquinoline
SMILESFc1cccc2nc(C3=CCc4c(Br)cccc43)ccc12
InChIInChI=1S/C18H11BrFN/c19-15-4-1-3-11-12(15)7-8-13(11)18-10-9-14-16(20)5-2-6-17(14)21-18/h1-6,8-10H,7H2
InChIKeyZYBCBQXJMXJXKP-UHFFFAOYSA-N
XLogP5.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.20
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline
CID 148529196
2-(7-bromo-1H-indol-3-yl)-5-fluoroquinoline
CID 118449886
[2-(4-methyl-3H-inden-1-yl)quinolin-5-yl]methanol
CID 159141056
5-bromo-2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)quinoline
CID 171470429
3-(5-bromo-3,3-dimethyl-4H-isoquinolin-1-yl)-8-fluoro-1,2,4-benzotriazine
CID 135152518
5-fluoro-2-(6-phenyldibenzothiophen-2-yl)quinoline
CID 172523560
5-fluoro-3-(2-fluorophenyl)quinolin-2-amine
CID 122688136
2-(2-fluorophenyl)quinoline
CID 11622684
2-(4-bromo-3H-inden-1-yl)ethanol
CID 67863149
2-(4,6-dimethyl-3H-inden-1-yl)-6-fluoroquinoline
CID 148610022
2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;2-(5,6-dimethyl-3H-inden-1-yl)-5-fluoroquinoline;8-fluoro-2-(4-methyl-3H-inden-1-yl)quinoline;2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(6-methyl-1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline;hydrochloride
CID 158812362
2,5-bis(4-phenylnaphthalen-1-yl)quinoline
CID 163839918

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3H-inden-1-yl)-5-fluoroquinoline?
The IUPAC name of 2-(4-bromo-3H-inden-1-yl)-5-fluoroquinoline (CID 162251519) is 2-(4-bromo-3H-inden-1-yl)-5-fluoroquinoline.
What is the SMILES notation for 2-(4-bromo-3H-inden-1-yl)-5-fluoroquinoline?
The canonical SMILES for 2-(4-bromo-3H-inden-1-yl)-5-fluoroquinoline is Fc1cccc2nc(C3=CCc4c(Br)cccc43)ccc12.
What is the InChIKey of 2-(4-bromo-3H-inden-1-yl)-5-fluoroquinoline?
The InChIKey is ZYBCBQXJMXJXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrFN/c19-15-4-1-3-11-12(15)7-8-13(11)18-10-9-14-16(20)5-2-6-17(14)21-18/h1-6,8-10H,7H2.
What are the key properties of 2-(4-bromo-3H-inden-1-yl)-5-fluoroquinoline?
2-(4-bromo-3H-inden-1-yl)-5-fluoroquinoline has a molecular weight of 340.20 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3H-inden-1-yl)-5-fluoroquinoline is sourced from PubChem (CID 162251519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).