2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline

C20H14F3N — CID 148529196

IUPAC2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline
SMILESCc1cccc2c1CC=C2c1ccc2c(C(F)(F)F)cccc2n1
InChIInChI=1S/C20H14F3N/c1-12-4-2-5-14-13(12)8-9-15(14)19-11-10-16-17(20(21,22)23)6-3-7-18(16)24-19/h2-7,9-11H,8H2,1H3
InChIKeyMPYGXRQXHLEBDG-UHFFFAOYSA-N
MW325.33 g/mol
LogP5.55
Rot. Bonds1

About 2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline

2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline (PubChem CID 148529196) has the molecular formula C20H14F3N and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline
PubChem CID148529196
Molecular FormulaC20H14F3N
Molecular Weight325.33 g/mol
Exact Mass325.11
IUPAC Name2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline
SMILESCc1cccc2c1CC=C2c1ccc2c(C(F)(F)F)cccc2n1
InChIInChI=1S/C20H14F3N/c1-12-4-2-5-14-13(12)8-9-15(14)19-11-10-16-17(20(21,22)23)6-3-7-18(16)24-19/h2-7,9-11H,8H2,1H3
InChIKeyMPYGXRQXHLEBDG-UHFFFAOYSA-N
XLogP5.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.33
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(4-methyl-3H-inden-1-yl)quinolin-5-yl]methanol
CID 159141056
2-(4-bromo-3H-inden-1-yl)-5-fluoroquinoline
CID 162251519
2-naphthalen-2-yl-5-(trifluoromethyl)quinoline
CID 167209787
5-methyl-2-(5-methylquinolin-2-yl)quinoline
CID 100918758
1-methyl-7-(trifluoromethyl)chrysene
CID 58362219
3-tert-butyl-7-methyl-1H-indene
CID 159200998
[2-amino-6-(trifluoromethyl)phenyl]methanol;1-(3,5-dimethylphenyl)ethanone;2-(3,5-dimethylphenyl)-5-methylquinoline
CID 160775888
2-[5-methyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]quinazoline
CID 67688678
5-(trifluoromethyl)quinazolin-2-amine
CID 10488765
3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline
CID 132515262
2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 1214783
2-methyl-3-[2-methyl-5-(trifluoromethyl)quinolin-3-yl]quinolin-8-ol
CID 152674149

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline?
The IUPAC name of 2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline (CID 148529196) is 2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline?
The canonical SMILES for 2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline is Cc1cccc2c1CC=C2c1ccc2c(C(F)(F)F)cccc2n1.
What is the InChIKey of 2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline?
The InChIKey is MPYGXRQXHLEBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N/c1-12-4-2-5-14-13(12)8-9-15(14)19-11-10-16-17(20(21,22)23)6-3-7-18(16)24-19/h2-7,9-11H,8H2,1H3.
What are the key properties of 2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline?
2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline has a molecular weight of 325.33 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline is sourced from PubChem (CID 148529196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).