8-(2-chloro-4-pyridin-2-yloxyphenyl)-7-fluoro-3H-imidazo[4,5-c]quinoline

C21H12ClFN4O — CID 144790425

IUPAC8-(2-chloro-4-pyridin-2-yloxyphenyl)-7-fluoro-3H-imidazo[4,5-c]quinoline
SMILESFc1cc2ncc3[nH]cnc3c2cc1-c1ccc(Oc2ccccn2)cc1Cl
InChIInChI=1S/C21H12ClFN4O/c22-16-7-12(28-20-3-1-2-6-24-20)4-5-13(16)14-8-15-18(9-17(14)23)25-10-19-21(15)27-11-26-19/h1-11H,(H,26,27)
InChIKeyKZLNRYJZYVEIJQ-UHFFFAOYSA-N
MW390.81 g/mol
LogP5.76
Rot. Bonds3

About 8-(2-chloro-4-pyridin-2-yloxyphenyl)-7-fluoro-3H-imidazo[4,5-c]quinoline

8-(2-chloro-4-pyridin-2-yloxyphenyl)-7-fluoro-3H-imidazo[4,5-c]quinoline (PubChem CID 144790425) has the molecular formula C21H12ClFN4O and a molecular weight of 390.81 g/mol. Its IUPAC name is 8-(2-chloro-4-pyridin-2-yloxyphenyl)-7-fluoro-3H-imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name8-(2-chloro-4-pyridin-2-yloxyphenyl)-7-fluoro-3H-imidazo[4,5-c]quinoline
PubChem CID144790425
Molecular FormulaC21H12ClFN4O
Molecular Weight390.81 g/mol
Exact Mass390.07
IUPAC Name8-(2-chloro-4-pyridin-2-yloxyphenyl)-7-fluoro-3H-imidazo[4,5-c]quinoline
SMILESFc1cc2ncc3[nH]cnc3c2cc1-c1ccc(Oc2ccccn2)cc1Cl
InChIInChI=1S/C21H12ClFN4O/c22-16-7-12(28-20-3-1-2-6-24-20)4-5-13(16)14-8-15-18(9-17(14)23)25-10-19-21(15)27-11-26-19/h1-11H,(H,26,27)
InChIKeyKZLNRYJZYVEIJQ-UHFFFAOYSA-N
XLogP5.76
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.81
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-3H-imidazo[4,5-c]quinoline;2-hydroxy-1-piperazin-1-ylethanone
CID 144790472
8-fluoro-3H-imidazo[4,5-c]quinoline
CID 14621814
2-[4-[8-(2-chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidin-1-yl]acetonitrile
CID 166633655
3-fluoro-4-(4-pyridin-2-yloxyphenyl)pyridine
CID 166359932
1-[4-[[3-amino-6-(2-chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoroquinolin-4-yl]-[(E)-but-2-en-2-yl]amino]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 144790426
2-(3-chloro-4-fluorophenoxy)pyrimidine
CID 5045020
2-(9,9-dimethyl-6-pyridin-2-yloxyfluoren-3-yl)oxypyridine
CID 153433485
2-[3-chloro-4-(6-propan-2-ylnaphthalen-2-yl)oxyphenoxy]pyridine
CID 91366744
1-[4-[8-(2-chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]-3-fluoropiperidin-1-yl]-2-methoxyethanone
CID 123194075
(4-pyridin-2-yloxyphenyl)hydrazine
CID 69019793
2-(3-bromo-5-fluorophenoxy)pyridine
CID 81332605
ethane;2-phenoxypyridine
CID 90835857

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-4-pyridin-2-yloxyphenyl)-7-fluoro-3H-imidazo[4,5-c]quinoline?
The IUPAC name of 8-(2-chloro-4-pyridin-2-yloxyphenyl)-7-fluoro-3H-imidazo[4,5-c]quinoline (CID 144790425) is 8-(2-chloro-4-pyridin-2-yloxyphenyl)-7-fluoro-3H-imidazo[4,5-c]quinoline.
What is the SMILES notation for 8-(2-chloro-4-pyridin-2-yloxyphenyl)-7-fluoro-3H-imidazo[4,5-c]quinoline?
The canonical SMILES for 8-(2-chloro-4-pyridin-2-yloxyphenyl)-7-fluoro-3H-imidazo[4,5-c]quinoline is Fc1cc2ncc3[nH]cnc3c2cc1-c1ccc(Oc2ccccn2)cc1Cl.
What is the InChIKey of 8-(2-chloro-4-pyridin-2-yloxyphenyl)-7-fluoro-3H-imidazo[4,5-c]quinoline?
The InChIKey is KZLNRYJZYVEIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClFN4O/c22-16-7-12(28-20-3-1-2-6-24-20)4-5-13(16)14-8-15-18(9-17(14)23)25-10-19-21(15)27-11-26-19/h1-11H,(H,26,27).
What are the key properties of 8-(2-chloro-4-pyridin-2-yloxyphenyl)-7-fluoro-3H-imidazo[4,5-c]quinoline?
8-(2-chloro-4-pyridin-2-yloxyphenyl)-7-fluoro-3H-imidazo[4,5-c]quinoline has a molecular weight of 390.81 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-4-pyridin-2-yloxyphenyl)-7-fluoro-3H-imidazo[4,5-c]quinoline is sourced from PubChem (CID 144790425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).