ethyl 6-methoxy-4-oxo-8-(4-propan-2-ylpiperazin-1-yl)chromene-2-carboxylate

C20H26N2O5 — CID 68976143

IUPACethyl 6-methoxy-4-oxo-8-(4-propan-2-ylpiperazin-1-yl)chromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cc(OC)cc(N3CCN(C(C)C)CC3)c2o1
InChIInChI=1S/C20H26N2O5/c1-5-26-20(24)18-12-17(23)15-10-14(25-4)11-16(19(15)27-18)22-8-6-21(7-9-22)13(2)3/h10-13H,5-9H2,1-4H3
InChIKeyPLOPSFFENNJVFS-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.51
Rot. Bonds5

About ethyl 6-methoxy-4-oxo-8-(4-propan-2-ylpiperazin-1-yl)chromene-2-carboxylate

ethyl 6-methoxy-4-oxo-8-(4-propan-2-ylpiperazin-1-yl)chromene-2-carboxylate (PubChem CID 68976143) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is ethyl 6-methoxy-4-oxo-8-(4-propan-2-ylpiperazin-1-yl)chromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-4-oxo-8-(4-propan-2-ylpiperazin-1-yl)chromene-2-carboxylate
PubChem CID68976143
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Nameethyl 6-methoxy-4-oxo-8-(4-propan-2-ylpiperazin-1-yl)chromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cc(OC)cc(N3CCN(C(C)C)CC3)c2o1
InChIInChI=1S/C20H26N2O5/c1-5-26-20(24)18-12-17(23)15-10-14(25-4)11-16(19(15)27-18)22-8-6-21(7-9-22)13(2)3/h10-13H,5-9H2,1-4H3
InChIKeyPLOPSFFENNJVFS-UHFFFAOYSA-N
XLogP2.51
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Acetophenone, 2'-((2-hydroxy-3-(4-(2-methoxyphenyl)piperazinyl))propoxy)-, acetate
CID 46189
2-(4-Morpholinyl)-9,10-dioxo-9,10-dihydroanthracene-1,4-diyl diacetate
CID 2887963
6-methoxy-8-(4-methylpiperazin-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-4-oxochromene-2-carboxamide
CID 23533321
N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]-6-methoxy-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide
CID 23533362
8-Acetyl-6-(benzyloxy)-2H-1,4-benzoxazin-3(4H)-one
CID 21100136
6-Fluoro-8-(4-methyl-piperazin-1-yl)-4-oxo-4h-chromene-2-carboxylic acid
CID 11472262
Ethyl-6-fluoro-8-(4-methyl-piperazin-1-yl)-4-oxo-4h-chromene-2-carboxylate
CID 22142263
N-(3-fluoro-4-morpholin-4-ylphenyl)-6-methoxy-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide
CID 23533353
6-Methoxy-8-[4-(2,2,2-trifluoro-ethyl)-piperazin-1-yl]-chroman-2-carboxylic acid
CID 58896390
6-Methoxy-4-oxo-8-[4-(2,2,2-trifluoro-ethyl)-piperazin-1-yl]-4H-chromene-2-carboxylic acid
CID 68974350
6-Methoxy-4-oxo-8-[4-(2,2,2-trifluoro-ethyl)-piperazin-1-yl]-4H-chromene-2-carboxylic acid ethyl ester
CID 68974762
3-Ethyl-6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid
CID 69269787

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-4-oxo-8-(4-propan-2-ylpiperazin-1-yl)chromene-2-carboxylate?
The IUPAC name of ethyl 6-methoxy-4-oxo-8-(4-propan-2-ylpiperazin-1-yl)chromene-2-carboxylate (CID 68976143) is ethyl 6-methoxy-4-oxo-8-(4-propan-2-ylpiperazin-1-yl)chromene-2-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-4-oxo-8-(4-propan-2-ylpiperazin-1-yl)chromene-2-carboxylate?
The canonical SMILES for ethyl 6-methoxy-4-oxo-8-(4-propan-2-ylpiperazin-1-yl)chromene-2-carboxylate is CCOC(=O)c1cc(=O)c2cc(OC)cc(N3CCN(C(C)C)CC3)c2o1.
What is the InChIKey of ethyl 6-methoxy-4-oxo-8-(4-propan-2-ylpiperazin-1-yl)chromene-2-carboxylate?
The InChIKey is PLOPSFFENNJVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-5-26-20(24)18-12-17(23)15-10-14(25-4)11-16(19(15)27-18)22-8-6-21(7-9-22)13(2)3/h10-13H,5-9H2,1-4H3.
What are the key properties of ethyl 6-methoxy-4-oxo-8-(4-propan-2-ylpiperazin-1-yl)chromene-2-carboxylate?
ethyl 6-methoxy-4-oxo-8-(4-propan-2-ylpiperazin-1-yl)chromene-2-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-4-oxo-8-(4-propan-2-ylpiperazin-1-yl)chromene-2-carboxylate is sourced from PubChem (CID 68976143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).