7-(2-aminopentoxy)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride

C18H21Cl2FN2O4 — CID 70398255

IUPAC7-(2-aminopentoxy)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
SMILESCCCC(N)COc1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1Cl.Cl
InChIInChI=1S/C18H20ClFN2O4.ClH/c1-2-3-9(21)8-26-17-13(20)6-11-15(14(17)19)22(10-4-5-10)7-12(16(11)23)18(24)25;/h6-7,9-10H,2-5,8,21H2,1H3,(H,24,25);1H
InChIKeyJRMCYMXCMAFKJX-UHFFFAOYSA-N
MW419.28 g/mol
LogP3.76
Rot. Bonds7

About 7-(2-aminopentoxy)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride

7-(2-aminopentoxy)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride (PubChem CID 70398255) has the molecular formula C18H21Cl2FN2O4 and a molecular weight of 419.28 g/mol. Its IUPAC name is 7-(2-aminopentoxy)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name7-(2-aminopentoxy)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
PubChem CID70398255
Molecular FormulaC18H21Cl2FN2O4
Molecular Weight419.28 g/mol
Exact Mass418.09
IUPAC Name7-(2-aminopentoxy)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
SMILESCCCC(N)COc1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1Cl.Cl
InChIInChI=1S/C18H20ClFN2O4.ClH/c1-2-3-9(21)8-26-17-13(20)6-11-15(14(17)19)22(10-4-5-10)7-12(16(11)23)18(24)25;/h6-7,9-10H,2-5,8,21H2,1H3,(H,24,25);1H
InChIKeyJRMCYMXCMAFKJX-UHFFFAOYSA-N
XLogP3.76
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(2-aminopentoxy)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride with MolForge

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Related Compounds

7-(2-aminopropoxy)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14846355
8-chloro-1-cyclopropyl-6-fluoro-7-(1-methylpyrrolidin-3-yl)oxy-4-oxoquinoline-3-carboxylic acid
CID 15072051
8-chloro-1-cyclopropyl-6-fluoro-7-(1-methylpiperidin-4-yl)oxy-4-oxoquinoline-3-carboxylic acid
CID 54524977
7-(2-aminoethylsulfanyl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 70397908
7-[3-(aminomethyl)-4-(methoxyamino)-2,3-dihydropyrrol-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 54362546
CID 87873503
CID 87873503
8-chloro-1-cyclopropyl-6-fluoro-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 11246422
8-chloro-1-cyclopropyl-7-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 169094322
diethyl 2-[7-[(3S)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl]propanedioate;hydrochloride
CID 22853193
diethyl 2-[7-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl]propanedioate;hydrochloride
CID 22853184
1-cyclopropyl-6-fluoro-7-[[(2S)-4-methoxy-2-(methoxymethyl)butyl]-propylamino]-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 143016153
8-chloro-1-cyclopropyl-6-fluoro-7-[2-(methylamino)ethylsulfanyl]-4-oxoquinoline-3-carboxylic acid
CID 14661913

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminopentoxy)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride?
The IUPAC name of 7-(2-aminopentoxy)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride (CID 70398255) is 7-(2-aminopentoxy)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 7-(2-aminopentoxy)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride?
The canonical SMILES for 7-(2-aminopentoxy)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride is CCCC(N)COc1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1Cl.Cl.
What is the InChIKey of 7-(2-aminopentoxy)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride?
The InChIKey is JRMCYMXCMAFKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O4.ClH/c1-2-3-9(21)8-26-17-13(20)6-11-15(14(17)19)22(10-4-5-10)7-12(16(11)23)18(24)25;/h6-7,9-10H,2-5,8,21H2,1H3,(H,24,25);1H.
What are the key properties of 7-(2-aminopentoxy)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride?
7-(2-aminopentoxy)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride has a molecular weight of 419.28 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminopentoxy)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 70398255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).