6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline

C21H12ClFN4 — CID 66573861

IUPAC6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline
SMILESFc1ccc(-c2cc(-c3nc4ncccc4[nH]3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C21H12ClFN4/c22-13-5-8-17-15(10-13)16(20-26-18-2-1-9-24-21(18)27-20)11-19(25-17)12-3-6-14(23)7-4-12/h1-11H,(H,24,26,27)
InChIKeyHFEVHJZPGMMQLI-UHFFFAOYSA-N
MW374.81 g/mol
LogP5.63
Rot. Bonds2

About 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline

6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline (PubChem CID 66573861) has the molecular formula C21H12ClFN4 and a molecular weight of 374.81 g/mol. Its IUPAC name is 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline.

Molecular Properties

Compound Name6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline
PubChem CID66573861
Molecular FormulaC21H12ClFN4
Molecular Weight374.81 g/mol
Exact Mass374.07
IUPAC Name6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline
SMILESFc1ccc(-c2cc(-c3nc4ncccc4[nH]3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C21H12ClFN4/c22-13-5-8-17-15(10-13)16(20-26-18-2-1-9-24-21(18)27-20)11-19(25-17)12-3-6-14(23)7-4-12/h1-11H,(H,24,26,27)
InChIKeyHFEVHJZPGMMQLI-UHFFFAOYSA-N
XLogP5.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.81
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline?
The IUPAC name of 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline (CID 66573861) is 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline.
What is the SMILES notation for 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline?
The canonical SMILES for 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline is Fc1ccc(-c2cc(-c3nc4ncccc4[nH]3)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline?
The InChIKey is HFEVHJZPGMMQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClFN4/c22-13-5-8-17-15(10-13)16(20-26-18-2-1-9-24-21(18)27-20)11-19(25-17)12-3-6-14(23)7-4-12/h1-11H,(H,24,26,27).
What are the key properties of 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline?
6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline has a molecular weight of 374.81 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline is sourced from PubChem (CID 66573861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).