4-chloro-5,7-difluoro-3-methyl-1-pyridin-2-yl-2H-quinoline

C15H11ClF2N2 — CID 154461682

IUPAC4-chloro-5,7-difluoro-3-methyl-1-pyridin-2-yl-2H-quinoline
SMILESCC1=C(Cl)c2c(F)cc(F)cc2N(c2ccccn2)C1
InChIInChI=1S/C15H11ClF2N2/c1-9-8-20(13-4-2-3-5-19-13)12-7-10(17)6-11(18)14(12)15(9)16/h2-7H,8H2,1H3
InChIKeyZAMNPEWQHJEVPK-UHFFFAOYSA-N
MW292.72 g/mol
LogP4.48
Rot. Bonds1

About 4-chloro-5,7-difluoro-3-methyl-1-pyridin-2-yl-2H-quinoline

4-chloro-5,7-difluoro-3-methyl-1-pyridin-2-yl-2H-quinoline (PubChem CID 154461682) has the molecular formula C15H11ClF2N2 and a molecular weight of 292.72 g/mol. Its IUPAC name is 4-chloro-5,7-difluoro-3-methyl-1-pyridin-2-yl-2H-quinoline.

Molecular Properties

Compound Name4-chloro-5,7-difluoro-3-methyl-1-pyridin-2-yl-2H-quinoline
PubChem CID154461682
Molecular FormulaC15H11ClF2N2
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name4-chloro-5,7-difluoro-3-methyl-1-pyridin-2-yl-2H-quinoline
SMILESCC1=C(Cl)c2c(F)cc(F)cc2N(c2ccccn2)C1
InChIInChI=1S/C15H11ClF2N2/c1-9-8-20(13-4-2-3-5-19-13)12-7-10(17)6-11(18)14(12)15(9)16/h2-7H,8H2,1H3
InChIKeyZAMNPEWQHJEVPK-UHFFFAOYSA-N
XLogP4.48
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7-difluoro-3-methyl-1-pyridin-2-yl-2H-quinoline?
The IUPAC name of 4-chloro-5,7-difluoro-3-methyl-1-pyridin-2-yl-2H-quinoline (CID 154461682) is 4-chloro-5,7-difluoro-3-methyl-1-pyridin-2-yl-2H-quinoline.
What is the SMILES notation for 4-chloro-5,7-difluoro-3-methyl-1-pyridin-2-yl-2H-quinoline?
The canonical SMILES for 4-chloro-5,7-difluoro-3-methyl-1-pyridin-2-yl-2H-quinoline is CC1=C(Cl)c2c(F)cc(F)cc2N(c2ccccn2)C1.
What is the InChIKey of 4-chloro-5,7-difluoro-3-methyl-1-pyridin-2-yl-2H-quinoline?
The InChIKey is ZAMNPEWQHJEVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2/c1-9-8-20(13-4-2-3-5-19-13)12-7-10(17)6-11(18)14(12)15(9)16/h2-7H,8H2,1H3.
What are the key properties of 4-chloro-5,7-difluoro-3-methyl-1-pyridin-2-yl-2H-quinoline?
4-chloro-5,7-difluoro-3-methyl-1-pyridin-2-yl-2H-quinoline has a molecular weight of 292.72 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,7-difluoro-3-methyl-1-pyridin-2-yl-2H-quinoline is sourced from PubChem (CID 154461682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).