6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid

C19H20FN5O3 — CID 10452661

IUPAC6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid
SMILESCN1CCN(c2c(F)c3c(c(=O)c(C(=O)O)cn3C3CC3)c3nc[nH]c23)CC1
InChIInChI=1S/C19H20FN5O3/c1-23-4-6-24(7-5-23)17-13(20)16-12(14-15(17)22-9-21-14)18(26)11(19(27)28)8-25(16)10-2-3-10/h8-10H,2-7H2,1H3,(H,21,22)(H,27,28)
InChIKeyVUWPDJSBEADEJU-UHFFFAOYSA-N
MW385.40 g/mol
LogP1.80
Rot. Bonds3

About 6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid

6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid (PubChem CID 10452661) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is 6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid
PubChem CID10452661
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC Name6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid
SMILESCN1CCN(c2c(F)c3c(c(=O)c(C(=O)O)cn3C3CC3)c3nc[nH]c23)CC1
InChIInChI=1S/C19H20FN5O3/c1-23-4-6-24(7-5-23)17-13(20)16-12(14-15(17)22-9-21-14)18(26)11(19(27)28)8-25(16)10-2-3-10/h8-10H,2-7H2,1H3,(H,21,22)(H,27,28)
InChIKeyVUWPDJSBEADEJU-UHFFFAOYSA-N
XLogP1.80
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid?
The IUPAC name of 6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid (CID 10452661) is 6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid is CN1CCN(c2c(F)c3c(c(=O)c(C(=O)O)cn3C3CC3)c3nc[nH]c23)CC1.
What is the InChIKey of 6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid?
The InChIKey is VUWPDJSBEADEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3/c1-23-4-6-24(7-5-23)17-13(20)16-12(14-15(17)22-9-21-14)18(26)11(19(27)28)8-25(16)10-2-3-10/h8-10H,2-7H2,1H3,(H,21,22)(H,27,28).
What are the key properties of 6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid?
6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid has a molecular weight of 385.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-fluoro-4-(4-methylpiperazin-1-yl)-9-oxo-3H-imidazo[4,5-f]quinoline-8-carboxylic acid is sourced from PubChem (CID 10452661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).