6-chloro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid

C15H15ClN2O4 — CID 22142205

IUPAC6-chloro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid
SMILESCN1CCN(c2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)CC1
InChIInChI=1S/C15H15ClN2O4/c1-17-2-4-18(5-3-17)11-7-9(16)6-10-12(19)8-13(15(20)21)22-14(10)11/h6-8H,2-5H2,1H3,(H,20,21)
InChIKeyHTVKTGOGXWGVEO-UHFFFAOYSA-N
MW322.75 g/mol
LogP1.90
Rot. Bonds2

About 6-chloro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid

6-chloro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid (PubChem CID 22142205) has the molecular formula C15H15ClN2O4 and a molecular weight of 322.75 g/mol. Its IUPAC name is 6-chloro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid
PubChem CID22142205
Molecular FormulaC15H15ClN2O4
Molecular Weight322.75 g/mol
Exact Mass322.07
IUPAC Name6-chloro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid
SMILESCN1CCN(c2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)CC1
InChIInChI=1S/C15H15ClN2O4/c1-17-2-4-18(5-3-17)11-7-9(16)6-10-12(19)8-13(15(20)21)22-14(10)11/h6-8H,2-5H2,1H3,(H,20,21)
InChIKeyHTVKTGOGXWGVEO-UHFFFAOYSA-N
XLogP1.90
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-4-oxochromene-2-carboxylic acid;hydrochloride
CID 69269151
6-fluoro-4-oxo-8-piperazin-1-ylchromene-2-carboxylic acid
CID 22142224
6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(2-piperazin-1-ylphenyl)chromene-2-carboxamide
CID 91565515
5-chloro-2-(4-methylpiperazin-1-yl)benzoic acid
CID 12784710
6-ethoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
CID 23533300
6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
CID 23533312
[hydroxy-[8-(4-methylpiperazin-1-yl)-4-oxochromen-2-yl]methylidene]-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]azanium
CID 163860498
ethyl 6-methoxy-4-oxo-8-(4-propan-2-ylpiperazin-1-yl)chromene-2-carboxylate
CID 68976143
N-(2-methyl-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide
CID 91569187
tert-butyl 4-[4-[[8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carbonyl]amino]phenyl]piperazine-1-carboxylate
CID 23533373
8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid
CID 847725
8-hydroxy-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylic acid
CID 23459793

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid?
The IUPAC name of 6-chloro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid (CID 22142205) is 6-chloro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid.
What is the SMILES notation for 6-chloro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid?
The canonical SMILES for 6-chloro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid is CN1CCN(c2cc(Cl)cc3c(=O)cc(C(=O)O)oc23)CC1.
What is the InChIKey of 6-chloro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid?
The InChIKey is HTVKTGOGXWGVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4/c1-17-2-4-18(5-3-17)11-7-9(16)6-10-12(19)8-13(15(20)21)22-14(10)11/h6-8H,2-5H2,1H3,(H,20,21).
What are the key properties of 6-chloro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid?
6-chloro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid has a molecular weight of 322.75 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid is sourced from PubChem (CID 22142205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).