2-(furan-2-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide

C24H21N3O4 — CID 24980908

IUPAC2-(furan-2-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3ccco3)nc3ccccc23)cc1
InChIInChI=1S/C24H21N3O4/c1-27(15-23(28)25-16-9-11-17(30-2)12-10-16)24(29)19-14-21(22-8-5-13-31-22)26-20-7-4-3-6-18(19)20/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyKBJVKTYARRSLTL-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.21
Rot. Bonds6

About 2-(furan-2-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide

2-(furan-2-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide (PubChem CID 24980908) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
PubChem CID24980908
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name2-(furan-2-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3ccco3)nc3ccccc23)cc1
InChIInChI=1S/C24H21N3O4/c1-27(15-23(28)25-16-9-11-17(30-2)12-10-16)24(29)19-14-21(22-8-5-13-31-22)26-20-7-4-3-6-18(19)20/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyKBJVKTYARRSLTL-UHFFFAOYSA-N
XLogP4.21
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(furan-2-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoline-4-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 2-(furan-2-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide (CID 24980908) is 2-(furan-2-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide is COc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3ccco3)nc3ccccc23)cc1.
What is the InChIKey of 2-(furan-2-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide?
The InChIKey is KBJVKTYARRSLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-27(15-23(28)25-16-9-11-17(30-2)12-10-16)24(29)19-14-21(22-8-5-13-31-22)26-20-7-4-3-6-18(19)20/h3-14H,15H2,1-2H3,(H,25,28).
What are the key properties of 2-(furan-2-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide?
2-(furan-2-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 24980908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).