N-(2-methoxy-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide

C26H30N4O5 — CID 23533346

IUPACN-(2-methoxy-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide
SMILESCOc1cc(N2CCOCC2)ccc1NC(=O)c1cc(=O)c2cccc(N3CCN(C)CC3)c2o1
InChIInChI=1S/C26H30N4O5/c1-28-8-10-30(11-9-28)21-5-3-4-19-22(31)17-24(35-25(19)21)26(32)27-20-7-6-18(16-23(20)33-2)29-12-14-34-15-13-29/h3-7,16-17H,8-15H2,1-2H3,(H,27,32)
InChIKeyZMWUMVNRJGRXPR-UHFFFAOYSA-N
MW478.55 g/mol
LogP2.64
Rot. Bonds5

About N-(2-methoxy-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide

N-(2-methoxy-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide (PubChem CID 23533346) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-(2-methoxy-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide
PubChem CID23533346
Molecular FormulaC26H30N4O5
Molecular Weight478.55 g/mol
Exact Mass478.22
IUPAC NameN-(2-methoxy-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide
SMILESCOc1cc(N2CCOCC2)ccc1NC(=O)c1cc(=O)c2cccc(N3CCN(C)CC3)c2o1
InChIInChI=1S/C26H30N4O5/c1-28-8-10-30(11-9-28)21-5-3-4-19-22(31)17-24(35-25(19)21)26(32)27-20-7-6-18(16-23(20)33-2)29-12-14-34-15-13-29/h3-7,16-17H,8-15H2,1-2H3,(H,27,32)
InChIKeyZMWUMVNRJGRXPR-UHFFFAOYSA-N
XLogP2.64
TPSA87.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(2-methoxy-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide (CID 23533346) is N-(2-methoxy-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(2-methoxy-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide is COc1cc(N2CCOCC2)ccc1NC(=O)c1cc(=O)c2cccc(N3CCN(C)CC3)c2o1.
What is the InChIKey of N-(2-methoxy-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide?
The InChIKey is ZMWUMVNRJGRXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-28-8-10-30(11-9-28)21-5-3-4-19-22(31)17-24(35-25(19)21)26(32)27-20-7-6-18(16-23(20)33-2)29-12-14-34-15-13-29/h3-7,16-17H,8-15H2,1-2H3,(H,27,32).
What are the key properties of N-(2-methoxy-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide?
N-(2-methoxy-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 23533346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).