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

C15H20N2O4 — CID 143452452

IUPAC6-hydroxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESCN1CCN(c2cc(O)cc3c2OC(C(=O)O)CC3)CC1
InChIInChI=1S/C15H20N2O4/c1-16-4-6-17(7-5-16)12-9-11(18)8-10-2-3-13(15(19)20)21-14(10)12/h8-9,13,18H,2-7H2,1H3,(H,19,20)
InChIKeyGWCPZTHEXNHWLV-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.92
Rot. Bonds2

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

6-hydroxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid (PubChem CID 143452452) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 6-hydroxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid
PubChem CID143452452
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name6-hydroxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESCN1CCN(c2cc(O)cc3c2OC(C(=O)O)CC3)CC1
InChIInChI=1S/C15H20N2O4/c1-16-4-6-17(7-5-16)12-9-11(18)8-10-2-3-13(15(19)20)21-14(10)12/h8-9,13,18H,2-7H2,1H3,(H,19,20)
InChIKeyGWCPZTHEXNHWLV-UHFFFAOYSA-N
XLogP0.92
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid?
The IUPAC name of 6-hydroxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid (CID 143452452) is 6-hydroxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid.
What is the SMILES notation for 6-hydroxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid?
The canonical SMILES for 6-hydroxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid is CN1CCN(c2cc(O)cc3c2OC(C(=O)O)CC3)CC1.
What is the InChIKey of 6-hydroxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid?
The InChIKey is GWCPZTHEXNHWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-16-4-6-17(7-5-16)12-9-11(18)8-10-2-3-13(15(19)20)21-14(10)12/h8-9,13,18H,2-7H2,1H3,(H,19,20).
What are the key properties of 6-hydroxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid?
6-hydroxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid is sourced from PubChem (CID 143452452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).