6-fluoro-2-methyl-4-(2-methylpyrrolidin-2-yl)quinoline

C15H17FN2 — CID 82664652

IUPAC6-fluoro-2-methyl-4-(2-methylpyrrolidin-2-yl)quinoline
SMILESCc1cc(C2(C)CCCN2)c2cc(F)ccc2n1
InChIInChI=1S/C15H17FN2/c1-10-8-13(15(2)6-3-7-17-15)12-9-11(16)4-5-14(12)18-10/h4-5,8-9,17H,3,6-7H2,1-2H3
InChIKeyMWGRAFOHXDWZND-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.28
Rot. Bonds1

About 6-fluoro-2-methyl-4-(2-methylpyrrolidin-2-yl)quinoline

6-fluoro-2-methyl-4-(2-methylpyrrolidin-2-yl)quinoline (PubChem CID 82664652) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 6-fluoro-2-methyl-4-(2-methylpyrrolidin-2-yl)quinoline.

Molecular Properties

Compound Name6-fluoro-2-methyl-4-(2-methylpyrrolidin-2-yl)quinoline
PubChem CID82664652
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name6-fluoro-2-methyl-4-(2-methylpyrrolidin-2-yl)quinoline
SMILESCc1cc(C2(C)CCCN2)c2cc(F)ccc2n1
InChIInChI=1S/C15H17FN2/c1-10-8-13(15(2)6-3-7-17-15)12-9-11(16)4-5-14(12)18-10/h4-5,8-9,17H,3,6-7H2,1-2H3
InChIKeyMWGRAFOHXDWZND-UHFFFAOYSA-N
XLogP3.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-4-(2-methylpyrrolidin-2-yl)quinoline?
The IUPAC name of 6-fluoro-2-methyl-4-(2-methylpyrrolidin-2-yl)quinoline (CID 82664652) is 6-fluoro-2-methyl-4-(2-methylpyrrolidin-2-yl)quinoline.
What is the SMILES notation for 6-fluoro-2-methyl-4-(2-methylpyrrolidin-2-yl)quinoline?
The canonical SMILES for 6-fluoro-2-methyl-4-(2-methylpyrrolidin-2-yl)quinoline is Cc1cc(C2(C)CCCN2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-4-(2-methylpyrrolidin-2-yl)quinoline?
The InChIKey is MWGRAFOHXDWZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-10-8-13(15(2)6-3-7-17-15)12-9-11(16)4-5-14(12)18-10/h4-5,8-9,17H,3,6-7H2,1-2H3.
What are the key properties of 6-fluoro-2-methyl-4-(2-methylpyrrolidin-2-yl)quinoline?
6-fluoro-2-methyl-4-(2-methylpyrrolidin-2-yl)quinoline has a molecular weight of 244.31 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-4-(2-methylpyrrolidin-2-yl)quinoline is sourced from PubChem (CID 82664652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).