2-(5-chloro-2-fluorophenyl)-4-(2-methylimidazo[4,5-c]pyridin-1-yl)quinoline

C22H14ClFN4 — CID 70660180

IUPAC2-(5-chloro-2-fluorophenyl)-4-(2-methylimidazo[4,5-c]pyridin-1-yl)quinoline
SMILESCc1nc2cnccc2n1-c1cc(-c2cc(Cl)ccc2F)nc2ccccc12
InChIInChI=1S/C22H14ClFN4/c1-13-26-20-12-25-9-8-21(20)28(13)22-11-19(16-10-14(23)6-7-17(16)24)27-18-5-3-2-4-15(18)22/h2-12H,1H3
InChIKeyVXCWFAWWPDFTOX-UHFFFAOYSA-N
MW388.83 g/mol
LogP5.74
Rot. Bonds2

About 2-(5-chloro-2-fluorophenyl)-4-(2-methylimidazo[4,5-c]pyridin-1-yl)quinoline

2-(5-chloro-2-fluorophenyl)-4-(2-methylimidazo[4,5-c]pyridin-1-yl)quinoline (PubChem CID 70660180) has the molecular formula C22H14ClFN4 and a molecular weight of 388.83 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-(2-methylimidazo[4,5-c]pyridin-1-yl)quinoline.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-(2-methylimidazo[4,5-c]pyridin-1-yl)quinoline
PubChem CID70660180
Molecular FormulaC22H14ClFN4
Molecular Weight388.83 g/mol
Exact Mass388.09
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-(2-methylimidazo[4,5-c]pyridin-1-yl)quinoline
SMILESCc1nc2cnccc2n1-c1cc(-c2cc(Cl)ccc2F)nc2ccccc12
InChIInChI=1S/C22H14ClFN4/c1-13-26-20-12-25-9-8-21(20)28(13)22-11-19(16-10-14(23)6-7-17(16)24)27-18-5-3-2-4-15(18)22/h2-12H,1H3
InChIKeyVXCWFAWWPDFTOX-UHFFFAOYSA-N
XLogP5.74
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.83
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-(2-methylimidazo[4,5-c]pyridin-1-yl)quinoline?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-(2-methylimidazo[4,5-c]pyridin-1-yl)quinoline (CID 70660180) is 2-(5-chloro-2-fluorophenyl)-4-(2-methylimidazo[4,5-c]pyridin-1-yl)quinoline.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-(2-methylimidazo[4,5-c]pyridin-1-yl)quinoline?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-(2-methylimidazo[4,5-c]pyridin-1-yl)quinoline is Cc1nc2cnccc2n1-c1cc(-c2cc(Cl)ccc2F)nc2ccccc12.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-(2-methylimidazo[4,5-c]pyridin-1-yl)quinoline?
The InChIKey is VXCWFAWWPDFTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN4/c1-13-26-20-12-25-9-8-21(20)28(13)22-11-19(16-10-14(23)6-7-17(16)24)27-18-5-3-2-4-15(18)22/h2-12H,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-(2-methylimidazo[4,5-c]pyridin-1-yl)quinoline?
2-(5-chloro-2-fluorophenyl)-4-(2-methylimidazo[4,5-c]pyridin-1-yl)quinoline has a molecular weight of 388.83 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-(2-methylimidazo[4,5-c]pyridin-1-yl)quinoline is sourced from PubChem (CID 70660180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).