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

C26H30N4O4 — CID 91569187

IUPACN-(2-methyl-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)c1cc(=O)c2cccc(N3CCN(C)CC3)c2o1
InChIInChI=1S/C26H30N4O4/c1-18-16-19(29-12-14-33-15-13-29)6-7-21(18)27-26(32)24-17-23(31)20-4-3-5-22(25(20)34-24)30-10-8-28(2)9-11-30/h3-7,16-17H,8-15H2,1-2H3,(H,27,32)
InChIKeyHDUXDBGFZFLUHU-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.94
Rot. Bonds4

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

N-(2-methyl-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide (PubChem CID 91569187) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-(2-methyl-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide
PubChem CID91569187
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-(2-methyl-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)c1cc(=O)c2cccc(N3CCN(C)CC3)c2o1
InChIInChI=1S/C26H30N4O4/c1-18-16-19(29-12-14-33-15-13-29)6-7-21(18)27-26(32)24-17-23(31)20-4-3-5-22(25(20)34-24)30-10-8-28(2)9-11-30/h3-7,16-17H,8-15H2,1-2H3,(H,27,32)
InChIKeyHDUXDBGFZFLUHU-UHFFFAOYSA-N
XLogP2.94
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(2-methyl-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide (CID 91569187) is N-(2-methyl-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(2-methyl-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(2-methyl-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide is Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc(=O)c2cccc(N3CCN(C)CC3)c2o1.
What is the InChIKey of N-(2-methyl-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide?
The InChIKey is HDUXDBGFZFLUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-18-16-19(29-12-14-33-15-13-29)6-7-21(18)27-26(32)24-17-23(31)20-4-3-5-22(25(20)34-24)30-10-8-28(2)9-11-30/h3-7,16-17H,8-15H2,1-2H3,(H,27,32).
What are the key properties of N-(2-methyl-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide?
N-(2-methyl-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 91569187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).