2-(4,6-dimethyl-3H-inden-1-yl)-6-fluoroquinoline

C20H16FN — CID 148610022

IUPAC2-(4,6-dimethyl-3H-inden-1-yl)-6-fluoroquinoline
SMILESCc1cc(C)c2c(c1)C(c1ccc3cc(F)ccc3n1)=CC2
InChIInChI=1S/C20H16FN/c1-12-9-13(2)16-5-6-17(18(16)10-12)20-7-3-14-11-15(21)4-8-19(14)22-20/h3-4,6-11H,5H2,1-2H3
InChIKeyNEELYGBSYPIFQK-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.98
Rot. Bonds1

About 2-(4,6-dimethyl-3H-inden-1-yl)-6-fluoroquinoline

2-(4,6-dimethyl-3H-inden-1-yl)-6-fluoroquinoline (PubChem CID 148610022) has the molecular formula C20H16FN and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-(4,6-dimethyl-3H-inden-1-yl)-6-fluoroquinoline.

Molecular Properties

Compound Name2-(4,6-dimethyl-3H-inden-1-yl)-6-fluoroquinoline
PubChem CID148610022
Molecular FormulaC20H16FN
Molecular Weight289.35 g/mol
Exact Mass289.13
IUPAC Name2-(4,6-dimethyl-3H-inden-1-yl)-6-fluoroquinoline
SMILESCc1cc(C)c2c(c1)C(c1ccc3cc(F)ccc3n1)=CC2
InChIInChI=1S/C20H16FN/c1-12-9-13(2)16-5-6-17(18(16)10-12)20-7-3-14-11-15(21)4-8-19(14)22-20/h3-4,6-11H,5H2,1-2H3
InChIKeyNEELYGBSYPIFQK-UHFFFAOYSA-N
XLogP4.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-6-methylquinoline
CID 13224215
2-(cyclohexen-1-yl)-6-fluoroquinoline
CID 140669523
2-(3,5-dimethylphenyl)-7-fluoroquinoline
CID 59288826
6-methoxy-2-(2,3,5-trimethylphenyl)quinoline
CID 58871166
6-fluoro-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 166501250
4-deuterio-8-fluoro-2,3-dimethyl-1-(2,3,5-trimethylphenyl)benzo[h]isoquinolin-2-ium
CID 158016116
2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline
CID 148529196
ethane;2-ethyl-6-fluoroquinoline
CID 142538501
5-(6-fluoroquinolin-2-yl)-2-propan-2-ylbenzene-1,3-diol
CID 168883113
2-(2-fluorophenyl)-6-methylquinoline
CID 58774468
[2-(4-methyl-3H-inden-1-yl)quinolin-5-yl]methanol
CID 159141056
2-bromo-6-fluoroquinoline
CID 18729607

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-3H-inden-1-yl)-6-fluoroquinoline?
The IUPAC name of 2-(4,6-dimethyl-3H-inden-1-yl)-6-fluoroquinoline (CID 148610022) is 2-(4,6-dimethyl-3H-inden-1-yl)-6-fluoroquinoline.
What is the SMILES notation for 2-(4,6-dimethyl-3H-inden-1-yl)-6-fluoroquinoline?
The canonical SMILES for 2-(4,6-dimethyl-3H-inden-1-yl)-6-fluoroquinoline is Cc1cc(C)c2c(c1)C(c1ccc3cc(F)ccc3n1)=CC2.
What is the InChIKey of 2-(4,6-dimethyl-3H-inden-1-yl)-6-fluoroquinoline?
The InChIKey is NEELYGBSYPIFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN/c1-12-9-13(2)16-5-6-17(18(16)10-12)20-7-3-14-11-15(21)4-8-19(14)22-20/h3-4,6-11H,5H2,1-2H3.
What are the key properties of 2-(4,6-dimethyl-3H-inden-1-yl)-6-fluoroquinoline?
2-(4,6-dimethyl-3H-inden-1-yl)-6-fluoroquinoline has a molecular weight of 289.35 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-3H-inden-1-yl)-6-fluoroquinoline is sourced from PubChem (CID 148610022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).