1-cyclopropyl-6,8-difluoro-4-oxo-7-(propylaminomethyl)quinoline-3-carboxylic acid;hydrochloride

C17H19ClF2N2O3 — CID 45261882

IUPAC1-cyclopropyl-6,8-difluoro-4-oxo-7-(propylaminomethyl)quinoline-3-carboxylic acid;hydrochloride
SMILESCCCNCc1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F.Cl
InChIInChI=1S/C17H18F2N2O3.ClH/c1-2-5-20-7-11-13(18)6-10-15(14(11)19)21(9-3-4-9)8-12(16(10)22)17(23)24;/h6,8-9,20H,2-5,7H2,1H3,(H,23,24);1H
InChIKeyQRVOQOZWPJOZTJ-UHFFFAOYSA-N
MW372.80 g/mol
LogP3.23
Rot. Bonds6

About 1-cyclopropyl-6,8-difluoro-4-oxo-7-(propylaminomethyl)quinoline-3-carboxylic acid;hydrochloride

1-cyclopropyl-6,8-difluoro-4-oxo-7-(propylaminomethyl)quinoline-3-carboxylic acid;hydrochloride (PubChem CID 45261882) has the molecular formula C17H19ClF2N2O3 and a molecular weight of 372.80 g/mol. Its IUPAC name is 1-cyclopropyl-6,8-difluoro-4-oxo-7-(propylaminomethyl)quinoline-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-6,8-difluoro-4-oxo-7-(propylaminomethyl)quinoline-3-carboxylic acid;hydrochloride
PubChem CID45261882
Molecular FormulaC17H19ClF2N2O3
Molecular Weight372.80 g/mol
Exact Mass372.11
IUPAC Name1-cyclopropyl-6,8-difluoro-4-oxo-7-(propylaminomethyl)quinoline-3-carboxylic acid;hydrochloride
SMILESCCCNCc1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F.Cl
InChIInChI=1S/C17H18F2N2O3.ClH/c1-2-5-20-7-11-13(18)6-10-15(14(11)19)21(9-3-4-9)8-12(16(10)22)17(23)24;/h6,8-9,20H,2-5,7H2,1H3,(H,23,24);1H
InChIKeyQRVOQOZWPJOZTJ-UHFFFAOYSA-N
XLogP3.23
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.80
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-6,8-difluoro-4-oxo-7-(propylaminomethyl)quinoline-3-carboxylic acid;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 122197409
1-cyclopropyl-7-[[(3,5-dimethyl-2-pyridinyl)amino]methyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10340869
7-(2-amino-2-oxoethyl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14422912
1-cyclopropyl-6,8-difluoro-7-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 15636877
7-[(3-chloroanilino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 45265166
1-cyclopropyl-7-[(N-ethylanilino)methyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 122197411
1-cyclopropyl-6,8-difluoro-7-(imidazol-1-ylmethyl)-4-oxoquinoline-3-carboxylic acid
CID 122197410
1-cyclopropyl-7-[(2S,3S)-2-ethyl-3-hydroxyazetidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10090157
1-cyclopropyl-6-fluoro-4-oxo-8-propyl-7-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 143890841
1-cyclopropyl-7-(3-ethyl-3-hydroxyazetidin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10067318
7-(2-aminopropoxy)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14846355
7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 143715301

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6,8-difluoro-4-oxo-7-(propylaminomethyl)quinoline-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-cyclopropyl-6,8-difluoro-4-oxo-7-(propylaminomethyl)quinoline-3-carboxylic acid;hydrochloride (CID 45261882) is 1-cyclopropyl-6,8-difluoro-4-oxo-7-(propylaminomethyl)quinoline-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-6,8-difluoro-4-oxo-7-(propylaminomethyl)quinoline-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-cyclopropyl-6,8-difluoro-4-oxo-7-(propylaminomethyl)quinoline-3-carboxylic acid;hydrochloride is CCCNCc1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F.Cl.
What is the InChIKey of 1-cyclopropyl-6,8-difluoro-4-oxo-7-(propylaminomethyl)quinoline-3-carboxylic acid;hydrochloride?
The InChIKey is QRVOQOZWPJOZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3.ClH/c1-2-5-20-7-11-13(18)6-10-15(14(11)19)21(9-3-4-9)8-12(16(10)22)17(23)24;/h6,8-9,20H,2-5,7H2,1H3,(H,23,24);1H.
What are the key properties of 1-cyclopropyl-6,8-difluoro-4-oxo-7-(propylaminomethyl)quinoline-3-carboxylic acid;hydrochloride?
1-cyclopropyl-6,8-difluoro-4-oxo-7-(propylaminomethyl)quinoline-3-carboxylic acid;hydrochloride has a molecular weight of 372.80 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6,8-difluoro-4-oxo-7-(propylaminomethyl)quinoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 45261882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).