2-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydrochromene-2-carboxylic acid

C15H19FN2O3 — CID 69410589

IUPAC2-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydrochromene-2-carboxylic acid
SMILESCN1CCN(c2cccc3c2OC(F)(C(=O)O)CC3)CC1
InChIInChI=1S/C15H19FN2O3/c1-17-7-9-18(10-8-17)12-4-2-3-11-5-6-15(16,14(19)20)21-13(11)12/h2-4H,5-10H2,1H3,(H,19,20)
InChIKeyHZEPGECDGSJDPV-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.51
Rot. Bonds2

About 2-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydrochromene-2-carboxylic acid

2-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydrochromene-2-carboxylic acid (PubChem CID 69410589) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydrochromene-2-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydrochromene-2-carboxylic acid
PubChem CID69410589
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydrochromene-2-carboxylic acid
SMILESCN1CCN(c2cccc3c2OC(F)(C(=O)O)CC3)CC1
InChIInChI=1S/C15H19FN2O3/c1-17-7-9-18(10-8-17)12-4-2-3-11-5-6-15(16,14(19)20)21-13(11)12/h2-4H,5-10H2,1H3,(H,19,20)
InChIKeyHZEPGECDGSJDPV-UHFFFAOYSA-N
XLogP1.51
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydrochromene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-Ethoxy-3-{4-[2-(10H-phenoxazin-10-YL)ethoxy]phenyl}propanoic acid
CID 447458
Ragaglitazar
CID 128814
Ragaglitazar(racemate)
CID 4630913
3-Methoxy-8-piperazin-1-ylchromen-2-one
CID 22355300
3-Hydroxy-8-piperazin-1-ylchromen-2-one
CID 22355313
3-[4-{3-(2-methyl-7-Fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazin-4-yl)propylamino}phenyl]-2-ethoxypropanoic acid
CID 10136668
3-[4-{3-(7-Fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazin-4-yl)propylamino}phenyl]-2-ethoxypropanoic acid
CID 10201121
(S)-3-[4-{3-(7-Fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazin-4-yl)propylamino}phenyl]-2-ethoxypropanoic acid
CID 10201122
3-[4-[3-(7-Fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propylamino]phenyl]-2-propan-2-yloxypropanoic acid
CID 10202005
3-[4-[3-(7-Fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propylamino]phenyl]-2-methoxypropanoic acid
CID 10222760
6-Fluoro-8-(4-methyl-piperazin-1-yl)-4-oxo-4h-chromene-2-carboxylic acid
CID 11472262
Ethyl 4-methyl-8-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 18788368

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydrochromene-2-carboxylic acid?
The IUPAC name of 2-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydrochromene-2-carboxylic acid (CID 69410589) is 2-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydrochromene-2-carboxylic acid.
What is the SMILES notation for 2-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydrochromene-2-carboxylic acid?
The canonical SMILES for 2-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydrochromene-2-carboxylic acid is CN1CCN(c2cccc3c2OC(F)(C(=O)O)CC3)CC1.
What is the InChIKey of 2-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydrochromene-2-carboxylic acid?
The InChIKey is HZEPGECDGSJDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-17-7-9-18(10-8-17)12-4-2-3-11-5-6-15(16,14(19)20)21-13(11)12/h2-4H,5-10H2,1H3,(H,19,20).
What are the key properties of 2-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydrochromene-2-carboxylic acid?
2-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydrochromene-2-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydrochromene-2-carboxylic acid is sourced from PubChem (CID 69410589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).