5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline

C16H12F2N2 — CID 67517402

IUPAC5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline
SMILESCc1ccnc(-c2nc3cc(F)cc(F)c3cc2C)c1
InChIInChI=1S/C16H12F2N2/c1-9-3-4-19-15(5-9)16-10(2)6-12-13(18)7-11(17)8-14(12)20-16/h3-8H,1-2H3
InChIKeyFITVJVSOHWEFNC-UHFFFAOYSA-N
MW270.28 g/mol
LogP4.19
Rot. Bonds1

About 5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline

5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline (PubChem CID 67517402) has the molecular formula C16H12F2N2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline.

Molecular Properties

Compound Name5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline
PubChem CID67517402
Molecular FormulaC16H12F2N2
Molecular Weight270.28 g/mol
Exact Mass270.10
IUPAC Name5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline
SMILESCc1ccnc(-c2nc3cc(F)cc(F)c3cc2C)c1
InChIInChI=1S/C16H12F2N2/c1-9-3-4-19-15(5-9)16-10(2)6-12-13(18)7-11(17)8-14(12)20-16/h3-8H,1-2H3
InChIKeyFITVJVSOHWEFNC-UHFFFAOYSA-N
XLogP4.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline?
The IUPAC name of 5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline (CID 67517402) is 5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline.
What is the SMILES notation for 5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline?
The canonical SMILES for 5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline is Cc1ccnc(-c2nc3cc(F)cc(F)c3cc2C)c1.
What is the InChIKey of 5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline?
The InChIKey is FITVJVSOHWEFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2/c1-9-3-4-19-15(5-9)16-10(2)6-12-13(18)7-11(17)8-14(12)20-16/h3-8H,1-2H3.
What are the key properties of 5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline?
5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline has a molecular weight of 270.28 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline is sourced from PubChem (CID 67517402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).