6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-8-(methylaminomethyl)-4-oxoquinoline-3-carboxylic acid

C24H27FN4O4 — CID 139783885

IUPAC6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-8-(methylaminomethyl)-4-oxoquinoline-3-carboxylic acid
SMILESCNCc1c(N2CCN(c3ccccc3OC)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C)c12
InChIInChI=1S/C24H27FN4O4/c1-26-13-16-21-15(23(30)17(24(31)32)14-27(21)2)12-18(25)22(16)29-10-8-28(9-11-29)19-6-4-5-7-20(19)33-3/h4-7,12,14,26H,8-11,13H2,1-3H3,(H,31,32)
InChIKeyLLVFAGNRLGWVES-UHFFFAOYSA-N
MW454.50 g/mol
LogP2.43
Rot. Bonds6

About 6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-8-(methylaminomethyl)-4-oxoquinoline-3-carboxylic acid

6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-8-(methylaminomethyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 139783885) has the molecular formula C24H27FN4O4 and a molecular weight of 454.50 g/mol. Its IUPAC name is 6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-8-(methylaminomethyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-8-(methylaminomethyl)-4-oxoquinoline-3-carboxylic acid
PubChem CID139783885
Molecular FormulaC24H27FN4O4
Molecular Weight454.50 g/mol
Exact Mass454.20
IUPAC Name6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-8-(methylaminomethyl)-4-oxoquinoline-3-carboxylic acid
SMILESCNCc1c(N2CCN(c3ccccc3OC)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C)c12
InChIInChI=1S/C24H27FN4O4/c1-26-13-16-21-15(23(30)17(24(31)32)14-27(21)2)12-18(25)22(16)29-10-8-28(9-11-29)19-6-4-5-7-20(19)33-3/h4-7,12,14,26H,8-11,13H2,1-3H3,(H,31,32)
InChIKeyLLVFAGNRLGWVES-UHFFFAOYSA-N
XLogP2.43
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-8-(methylaminomethyl)-4-oxoquinoline-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

6-fluoro-8-methoxy-1-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14071848
6-fluoro-1-methyl-7-[4-(2-methyl-3-sulfanylphenyl)piperazin-1-yl]-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 174442090
2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 110452691
7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 25124186
15-fluoro-14-[4-(2-methoxyphenyl)piperazin-1-yl]-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaen-18-one
CID 58744507
6-fluoro-1-(1-fluoropropan-2-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 59028042
6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 3357
1-cyclopropyl-8-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 15622526
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid
CID 46362995
6-fluoro-1-methyl-7-(4-methyl-1,4-diazepan-1-yl)-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 54410705
6,8-difluoro-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 1208020
N-[(2-fluorophenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109020713

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-8-(methylaminomethyl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-8-(methylaminomethyl)-4-oxoquinoline-3-carboxylic acid (CID 139783885) is 6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-8-(methylaminomethyl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-8-(methylaminomethyl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-8-(methylaminomethyl)-4-oxoquinoline-3-carboxylic acid is CNCc1c(N2CCN(c3ccccc3OC)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C)c12.
What is the InChIKey of 6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-8-(methylaminomethyl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is LLVFAGNRLGWVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4/c1-26-13-16-21-15(23(30)17(24(31)32)14-27(21)2)12-18(25)22(16)29-10-8-28(9-11-29)19-6-4-5-7-20(19)33-3/h4-7,12,14,26H,8-11,13H2,1-3H3,(H,31,32).
What are the key properties of 6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-8-(methylaminomethyl)-4-oxoquinoline-3-carboxylic acid?
6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-8-(methylaminomethyl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 454.50 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-8-(methylaminomethyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 139783885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).