7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride

C18H20ClFN2O3 — CID 67916341

IUPAC7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
SMILESCl.NC1CCC(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1
InChIInChI=1S/C18H19FN2O3.ClH/c19-15-6-13-16(7-12(15)9-1-2-10(20)5-9)21(11-3-4-11)8-14(17(13)22)18(23)24;/h6-11H,1-5,20H2,(H,23,24);1H
InChIKeyJLZVZLYPZLVGDS-UHFFFAOYSA-N
MW366.82 g/mol
LogP3.19
Rot. Bonds3

About 7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride

7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride (PubChem CID 67916341) has the molecular formula C18H20ClFN2O3 and a molecular weight of 366.82 g/mol. Its IUPAC name is 7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
PubChem CID67916341
Molecular FormulaC18H20ClFN2O3
Molecular Weight366.82 g/mol
Exact Mass366.11
IUPAC Name7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
SMILESCl.NC1CCC(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1
InChIInChI=1S/C18H19FN2O3.ClH/c19-15-6-13-16(7-12(15)9-1-2-10(20)5-9)21(11-3-4-11)8-14(17(13)22)18(23)24;/h6-11H,1-5,20H2,(H,23,24);1H
InChIKeyJLZVZLYPZLVGDS-UHFFFAOYSA-N
XLogP3.19
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.82
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride with MolForge

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Related Compounds

1-cyclopropyl-6-fluoro-7-(3-hydroxycyclobutyl)-4-oxoquinoline-3-carboxylic acid
CID 10313725
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
7-[(3S)-3-aminoazepan-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 86334665
1-cyclopropyl-6-fluoro-7-(1-hydroxycyclopropyl)-4-oxoquinoline-3-carboxylic acid
CID 139714093
1-cyclopropyl-7-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 175055513
7-[[(1R,2S)-2-aminocyclohexyl]amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 54131792
1-cyclopropyl-6-fluoro-4-oxo-7-[(3R)-3-sulfanylpyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 18631753
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrate;dihydrochloride
CID 66976850
7-(3-aminoprop-1-ynyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 139622136
1-cyclopropyl-6-fluoro-7-[3-(hydroxymethyl)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 15670687
ethyl 7-(3-azidocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 10022894
7-(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 19878268

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride?
The IUPAC name of 7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride (CID 67916341) is 7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride?
The canonical SMILES for 7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride is Cl.NC1CCC(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1.
What is the InChIKey of 7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride?
The InChIKey is JLZVZLYPZLVGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3.ClH/c19-15-6-13-16(7-12(15)9-1-2-10(20)5-9)21(11-3-4-11)8-14(17(13)22)18(23)24;/h6-11H,1-5,20H2,(H,23,24);1H.
What are the key properties of 7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride?
7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride has a molecular weight of 366.82 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 67916341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).