3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline

C20H13FN4O — CID 10427590

IUPAC3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline
SMILESCc1ccc(-c2nc3ccccc3c(-n3cnc4cnccc43)c2F)o1
InChIInChI=1S/C20H13FN4O/c1-12-6-7-17(26-12)19-18(21)20(13-4-2-3-5-14(13)24-19)25-11-23-15-10-22-9-8-16(15)25/h2-11H,1H3
InChIKeyKVYJOISBBHOSBH-UHFFFAOYSA-N
MW344.35 g/mol
LogP4.68
Rot. Bonds2

About 3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline

3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline (PubChem CID 10427590) has the molecular formula C20H13FN4O and a molecular weight of 344.35 g/mol. Its IUPAC name is 3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline.

Molecular Properties

Compound Name3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline
PubChem CID10427590
Molecular FormulaC20H13FN4O
Molecular Weight344.35 g/mol
Exact Mass344.11
IUPAC Name3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline
SMILESCc1ccc(-c2nc3ccccc3c(-n3cnc4cnccc43)c2F)o1
InChIInChI=1S/C20H13FN4O/c1-12-6-7-17(26-12)19-18(21)20(13-4-2-3-5-14(13)24-19)25-11-23-15-10-22-9-8-16(15)25/h2-11H,1H3
InChIKeyKVYJOISBBHOSBH-UHFFFAOYSA-N
XLogP4.68
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline?
The IUPAC name of 3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline (CID 10427590) is 3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline.
What is the SMILES notation for 3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline?
The canonical SMILES for 3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline is Cc1ccc(-c2nc3ccccc3c(-n3cnc4cnccc43)c2F)o1.
What is the InChIKey of 3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline?
The InChIKey is KVYJOISBBHOSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O/c1-12-6-7-17(26-12)19-18(21)20(13-4-2-3-5-14(13)24-19)25-11-23-15-10-22-9-8-16(15)25/h2-11H,1H3.
What are the key properties of 3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline?
3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline has a molecular weight of 344.35 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline is sourced from PubChem (CID 10427590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).