6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-quinolin-3-ylquinoline-3-carboxylic acid

C24H21FN4O3 — CID 10646373

IUPAC6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-quinolin-3-ylquinoline-3-carboxylic acid
SMILESCC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cnc3ccccc3c2)CCN1
InChIInChI=1S/C24H21FN4O3/c1-14-12-28(7-6-26-14)22-10-21-17(9-19(22)25)23(30)18(24(31)32)13-29(21)16-8-15-4-2-3-5-20(15)27-11-16/h2-5,8-11,13-14,26H,6-7,12H2,1H3,(H,31,32)
InChIKeyNHXIEBHOLYKQIB-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.17
Rot. Bonds3

About 6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-quinolin-3-ylquinoline-3-carboxylic acid

6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-quinolin-3-ylquinoline-3-carboxylic acid (PubChem CID 10646373) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-quinolin-3-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-quinolin-3-ylquinoline-3-carboxylic acid
PubChem CID10646373
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-quinolin-3-ylquinoline-3-carboxylic acid
SMILESCC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cnc3ccccc3c2)CCN1
InChIInChI=1S/C24H21FN4O3/c1-14-12-28(7-6-26-14)22-10-21-17(9-19(22)25)23(30)18(24(31)32)13-29(21)16-8-15-4-2-3-5-20(15)27-11-16/h2-5,8-11,13-14,26H,6-7,12H2,1H3,(H,31,32)
InChIKeyNHXIEBHOLYKQIB-UHFFFAOYSA-N
XLogP3.17
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-quinolin-3-ylquinoline-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

6-fluoro-1-(5-fluoro-2-pyridinyl)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 18985320
7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoro-1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid
CID 10718198
S-iodo 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carbothioate
CID 153393085
1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 174805970
1-(2,4-difluorophenyl)-6-fluoro-7-[3-(hydroxymethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 170455949
6-fluoro-1-(4-methoxyphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 10715814
7-fluoro-1-methyl-8-(3-methylpiperazin-1-yl)-4-oxobenzo[b][1,8]naphthyridine-3-carboxylic acid
CID 14700559
1-(4-carboxyphenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 23878924
6-fluoro-1-(2-fluoro-4-piperazin-1-ylphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 15712696
7-[3-(benzylideneamino)pyrrolidin-1-yl]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
CID 14230010
sodium 1-ethyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate
CID 67896247
6-fluoro-1-[2-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-4-oxo-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid
CID 15712690

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-quinolin-3-ylquinoline-3-carboxylic acid?
The IUPAC name of 6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-quinolin-3-ylquinoline-3-carboxylic acid (CID 10646373) is 6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-quinolin-3-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-quinolin-3-ylquinoline-3-carboxylic acid?
The canonical SMILES for 6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-quinolin-3-ylquinoline-3-carboxylic acid is CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cnc3ccccc3c2)CCN1.
What is the InChIKey of 6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-quinolin-3-ylquinoline-3-carboxylic acid?
The InChIKey is NHXIEBHOLYKQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-14-12-28(7-6-26-14)22-10-21-17(9-19(22)25)23(30)18(24(31)32)13-29(21)16-8-15-4-2-3-5-20(15)27-11-16/h2-5,8-11,13-14,26H,6-7,12H2,1H3,(H,31,32).
What are the key properties of 6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-quinolin-3-ylquinoline-3-carboxylic acid?
6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-quinolin-3-ylquinoline-3-carboxylic acid has a molecular weight of 432.46 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-quinolin-3-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 10646373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).