6-(3-fluorophenyl)-2,2,4-trimethyl-1H-quinoline

C18H18FN — CID 10825740

IUPAC6-(3-fluorophenyl)-2,2,4-trimethyl-1H-quinoline
SMILESCC1=CC(C)(C)Nc2ccc(-c3cccc(F)c3)cc21
InChIInChI=1S/C18H18FN/c1-12-11-18(2,3)20-17-8-7-14(10-16(12)17)13-5-4-6-15(19)9-13/h4-11,20H,1-3H3
InChIKeyCHYOXMTWROVBDX-UHFFFAOYSA-N
MW267.35 g/mol
LogP5.10
Rot. Bonds1

About 6-(3-fluorophenyl)-2,2,4-trimethyl-1H-quinoline

6-(3-fluorophenyl)-2,2,4-trimethyl-1H-quinoline (PubChem CID 10825740) has the molecular formula C18H18FN and a molecular weight of 267.35 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-2,2,4-trimethyl-1H-quinoline.

Molecular Properties

Compound Name6-(3-fluorophenyl)-2,2,4-trimethyl-1H-quinoline
PubChem CID10825740
Molecular FormulaC18H18FN
Molecular Weight267.35 g/mol
Exact Mass267.14
IUPAC Name6-(3-fluorophenyl)-2,2,4-trimethyl-1H-quinoline
SMILESCC1=CC(C)(C)Nc2ccc(-c3cccc(F)c3)cc21
InChIInChI=1S/C18H18FN/c1-12-11-18(2,3)20-17-8-7-14(10-16(12)17)13-5-4-6-15(19)9-13/h4-11,20H,1-3H3
InChIKeyCHYOXMTWROVBDX-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.35
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-2,2,4-trimethyl-1H-quinoline?
The IUPAC name of 6-(3-fluorophenyl)-2,2,4-trimethyl-1H-quinoline (CID 10825740) is 6-(3-fluorophenyl)-2,2,4-trimethyl-1H-quinoline.
What is the SMILES notation for 6-(3-fluorophenyl)-2,2,4-trimethyl-1H-quinoline?
The canonical SMILES for 6-(3-fluorophenyl)-2,2,4-trimethyl-1H-quinoline is CC1=CC(C)(C)Nc2ccc(-c3cccc(F)c3)cc21.
What is the InChIKey of 6-(3-fluorophenyl)-2,2,4-trimethyl-1H-quinoline?
The InChIKey is CHYOXMTWROVBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN/c1-12-11-18(2,3)20-17-8-7-14(10-16(12)17)13-5-4-6-15(19)9-13/h4-11,20H,1-3H3.
What are the key properties of 6-(3-fluorophenyl)-2,2,4-trimethyl-1H-quinoline?
6-(3-fluorophenyl)-2,2,4-trimethyl-1H-quinoline has a molecular weight of 267.35 g/mol, XLogP of 5.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-2,2,4-trimethyl-1H-quinoline is sourced from PubChem (CID 10825740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).