9-cyclopropyl-4-fluoro-6-oxo-2-pyridin-4-yl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid

C19H13FN4O3 — CID 122397549

IUPAC9-cyclopropyl-4-fluoro-6-oxo-2-pyridin-4-yl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(cc(F)c3nc(-c4ccncc4)[nH]c32)c1=O
InChIInChI=1S/C19H13FN4O3/c20-13-7-11-16(24(10-1-2-10)8-12(17(11)25)19(26)27)15-14(13)22-18(23-15)9-3-5-21-6-4-9/h3-8,10H,1-2H2,(H,22,23)(H,26,27)
InChIKeyARQSTXJJSJLRHE-UHFFFAOYSA-N
MW364.34 g/mol
LogP3.11
Rot. Bonds3

About 9-cyclopropyl-4-fluoro-6-oxo-2-pyridin-4-yl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid

9-cyclopropyl-4-fluoro-6-oxo-2-pyridin-4-yl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid (PubChem CID 122397549) has the molecular formula C19H13FN4O3 and a molecular weight of 364.34 g/mol. Its IUPAC name is 9-cyclopropyl-4-fluoro-6-oxo-2-pyridin-4-yl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name9-cyclopropyl-4-fluoro-6-oxo-2-pyridin-4-yl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid
PubChem CID122397549
Molecular FormulaC19H13FN4O3
Molecular Weight364.34 g/mol
Exact Mass364.10
IUPAC Name9-cyclopropyl-4-fluoro-6-oxo-2-pyridin-4-yl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(cc(F)c3nc(-c4ccncc4)[nH]c32)c1=O
InChIInChI=1S/C19H13FN4O3/c20-13-7-11-16(24(10-1-2-10)8-12(17(11)25)19(26)27)15-14(13)22-18(23-15)9-3-5-21-6-4-9/h3-8,10H,1-2H2,(H,22,23)(H,26,27)
InChIKeyARQSTXJJSJLRHE-UHFFFAOYSA-N
XLogP3.11
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-4-fluoro-6-oxo-2-pyridin-4-yl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid?
The IUPAC name of 9-cyclopropyl-4-fluoro-6-oxo-2-pyridin-4-yl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid (CID 122397549) is 9-cyclopropyl-4-fluoro-6-oxo-2-pyridin-4-yl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid.
What is the SMILES notation for 9-cyclopropyl-4-fluoro-6-oxo-2-pyridin-4-yl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid?
The canonical SMILES for 9-cyclopropyl-4-fluoro-6-oxo-2-pyridin-4-yl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid is O=C(O)c1cn(C2CC2)c2c(cc(F)c3nc(-c4ccncc4)[nH]c32)c1=O.
What is the InChIKey of 9-cyclopropyl-4-fluoro-6-oxo-2-pyridin-4-yl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid?
The InChIKey is ARQSTXJJSJLRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O3/c20-13-7-11-16(24(10-1-2-10)8-12(17(11)25)19(26)27)15-14(13)22-18(23-15)9-3-5-21-6-4-9/h3-8,10H,1-2H2,(H,22,23)(H,26,27).
What are the key properties of 9-cyclopropyl-4-fluoro-6-oxo-2-pyridin-4-yl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid?
9-cyclopropyl-4-fluoro-6-oxo-2-pyridin-4-yl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid has a molecular weight of 364.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-4-fluoro-6-oxo-2-pyridin-4-yl-1H-imidazo[4,5-h]quinoline-7-carboxylic acid is sourced from PubChem (CID 122397549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).