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

C15H19FN2O3 — CID 129388096

IUPAC(2R)-6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESCN1CCN(c2cc(F)cc3c2O[C@@H](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)/t13-/m1/s1
InChIKeyCYWFSLSNKSQNHL-CYBMUJFWSA-N
MW294.33 g/mol
LogP1.36
Rot. Bonds2

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

(2R)-6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid (PubChem CID 129388096) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (2R)-6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid
PubChem CID129388096
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(2R)-6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESCN1CCN(c2cc(F)cc3c2O[C@@H](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)/t13-/m1/s1
InChIKeyCYWFSLSNKSQNHL-CYBMUJFWSA-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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Related Compounds

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Ragaglitazar
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3-[4-{3-(2-methyl-7-Fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazin-4-yl)propylamino}phenyl]-2-ethoxypropanoic acid
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(S)-3-[4-{3-(7-Fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazin-4-yl)propylamino}phenyl]-2-ethoxypropanoic acid
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3-[4-[3-(7-Fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propylamino]phenyl]-2-propan-2-yloxypropanoic acid
CID 10202005
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[2-(methylamino)-2-oxoethyl] 4-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperazine-1-carboxylate
CID 11245068
6-Fluoro-8-(4-methyl-piperazin-1-yl)-4-oxo-4h-chromene-2-carboxylic acid
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Ethyl 4-methyl-8-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 18788368
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Frequently Asked Questions

What is the IUPAC name of (2R)-6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid?
The IUPAC name of (2R)-6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid (CID 129388096) is (2R)-6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid.
What is the SMILES notation for (2R)-6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid?
The canonical SMILES for (2R)-6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid is CN1CCN(c2cc(F)cc3c2O[C@@H](C(=O)O)CC3)CC1.
What is the InChIKey of (2R)-6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid?
The InChIKey is CYWFSLSNKSQNHL-CYBMUJFWSA-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)/t13-/m1/s1.
What are the key properties of (2R)-6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid?
(2R)-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 (2R)-6-fluoro-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid is sourced from PubChem (CID 129388096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).