5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxochromene-2-carboxamide

C18H23N3O3 — CID 138533345

IUPAC5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxochromene-2-carboxamide
SMILESCc1cccc2oc(C(=O)NCCN3CCN(C)CC3)cc(=O)c12
InChIInChI=1S/C18H23N3O3/c1-13-4-3-5-15-17(13)14(22)12-16(24-15)18(23)19-6-7-21-10-8-20(2)9-11-21/h3-5,12H,6-11H2,1-2H3,(H,19,23)
InChIKeyMRCYQXLACHZGBV-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.08
Rot. Bonds4

About 5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxochromene-2-carboxamide

5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxochromene-2-carboxamide (PubChem CID 138533345) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxochromene-2-carboxamide
PubChem CID138533345
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxochromene-2-carboxamide
SMILESCc1cccc2oc(C(=O)NCCN3CCN(C)CC3)cc(=O)c12
InChIInChI=1S/C18H23N3O3/c1-13-4-3-5-15-17(13)14(22)12-16(24-15)18(23)19-6-7-21-10-8-20(2)9-11-21/h3-5,12H,6-11H2,1-2H3,(H,19,23)
InChIKeyMRCYQXLACHZGBV-UHFFFAOYSA-N
XLogP1.08
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxochromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxochromene-2-carboxamide (CID 138533345) is 5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxochromene-2-carboxamide is Cc1cccc2oc(C(=O)NCCN3CCN(C)CC3)cc(=O)c12.
What is the InChIKey of 5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxochromene-2-carboxamide?
The InChIKey is MRCYQXLACHZGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-4-3-5-15-17(13)14(22)12-16(24-15)18(23)19-6-7-21-10-8-20(2)9-11-21/h3-5,12H,6-11H2,1-2H3,(H,19,23).
What are the key properties of 5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxochromene-2-carboxamide?
5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxochromene-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 138533345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).