6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid

C15H19FN2O3 — CID 58896383

IUPAC6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESCN1CCN(c2cc(F)cc3c2OC(C(=O)O)CC3)CC1
InChIInChI=1S/C15H19FN2O3/c1-17-4-6-18(7-5-17)12-9-11(16)8-10-2-3-13(15(19)20)21-14(10)12/h8-9,13H,2-7H2,1H3,(H,19,20)
InChIKeyCYWFSLSNKSQNHL-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.36
Rot. Bonds2

About 6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid

6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid (PubChem CID 58896383) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid
PubChem CID58896383
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESCN1CCN(c2cc(F)cc3c2OC(C(=O)O)CC3)CC1
InChIInChI=1S/C15H19FN2O3/c1-17-4-6-18(7-5-17)12-9-11(16)8-10-2-3-13(15(19)20)21-14(10)12/h8-9,13H,2-7H2,1H3,(H,19,20)
InChIKeyCYWFSLSNKSQNHL-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid?
The IUPAC name of 6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid (CID 58896383) is 6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid?
The canonical SMILES for 6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid is CN1CCN(c2cc(F)cc3c2OC(C(=O)O)CC3)CC1.
What is the InChIKey of 6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid?
The InChIKey is CYWFSLSNKSQNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-17-4-6-18(7-5-17)12-9-11(16)8-10-2-3-13(15(19)20)21-14(10)12/h8-9,13H,2-7H2,1H3,(H,19,20).
What are the key properties of 6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid?
6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid is sourced from PubChem (CID 58896383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).