4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline

C20H18ClF2N3 — CID 59631080

IUPAC4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline
SMILESCc1c(-c2ccc(N3CCC(C)C3)nc2)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C20H18ClF2N3/c1-11-5-6-26(10-11)17-4-3-13(9-24-17)20-12(2)19(21)18-15(23)7-14(22)8-16(18)25-20/h3-4,7-9,11H,5-6,10H2,1-2H3
InChIKeyJJNYKJDAKOEQIP-UHFFFAOYSA-N
MW373.83 g/mol
LogP5.38
Rot. Bonds2

About 4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline

4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline (PubChem CID 59631080) has the molecular formula C20H18ClF2N3 and a molecular weight of 373.83 g/mol. Its IUPAC name is 4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline.

Molecular Properties

Compound Name4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline
PubChem CID59631080
Molecular FormulaC20H18ClF2N3
Molecular Weight373.83 g/mol
Exact Mass373.12
IUPAC Name4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline
SMILESCc1c(-c2ccc(N3CCC(C)C3)nc2)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C20H18ClF2N3/c1-11-5-6-26(10-11)17-4-3-13(9-24-17)20-12(2)19(21)18-15(23)7-14(22)8-16(18)25-20/h3-4,7-9,11H,5-6,10H2,1-2H3
InChIKeyJJNYKJDAKOEQIP-UHFFFAOYSA-N
XLogP5.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.83
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline?
The IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline (CID 59631080) is 4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline.
What is the SMILES notation for 4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline?
The canonical SMILES for 4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline is Cc1c(-c2ccc(N3CCC(C)C3)nc2)nc2cc(F)cc(F)c2c1Cl.
What is the InChIKey of 4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline?
The InChIKey is JJNYKJDAKOEQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3/c1-11-5-6-26(10-11)17-4-3-13(9-24-17)20-12(2)19(21)18-15(23)7-14(22)8-16(18)25-20/h3-4,7-9,11H,5-6,10H2,1-2H3.
What are the key properties of 4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline?
4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline has a molecular weight of 373.83 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,7-difluoro-3-methyl-2-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]quinoline is sourced from PubChem (CID 59631080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).