N-(2-anilino-2-oxoethyl)-2-(furan-2-yl)-N-methylquinoline-4-carboxamide

C23H19N3O3 — CID 55638886

IUPACN-(2-anilino-2-oxoethyl)-2-(furan-2-yl)-N-methylquinoline-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C23H19N3O3/c1-26(15-22(27)24-16-8-3-2-4-9-16)23(28)18-14-20(21-12-7-13-29-21)25-19-11-6-5-10-17(18)19/h2-14H,15H2,1H3,(H,24,27)
InChIKeyKQYUISGHZAQJNO-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.21
Rot. Bonds5

About N-(2-anilino-2-oxoethyl)-2-(furan-2-yl)-N-methylquinoline-4-carboxamide

N-(2-anilino-2-oxoethyl)-2-(furan-2-yl)-N-methylquinoline-4-carboxamide (PubChem CID 55638886) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-2-(furan-2-yl)-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-2-(furan-2-yl)-N-methylquinoline-4-carboxamide
PubChem CID55638886
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-(2-anilino-2-oxoethyl)-2-(furan-2-yl)-N-methylquinoline-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C23H19N3O3/c1-26(15-22(27)24-16-8-3-2-4-9-16)23(28)18-14-20(21-12-7-13-29-21)25-19-11-6-5-10-17(18)19/h2-14H,15H2,1H3,(H,24,27)
InChIKeyKQYUISGHZAQJNO-UHFFFAOYSA-N
XLogP4.21
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-2-(furan-2-yl)-N-methylquinoline-4-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-2-(furan-2-yl)-N-methylquinoline-4-carboxamide (CID 55638886) is N-(2-anilino-2-oxoethyl)-2-(furan-2-yl)-N-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-2-(furan-2-yl)-N-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-2-(furan-2-yl)-N-methylquinoline-4-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-2-(furan-2-yl)-N-methylquinoline-4-carboxamide?
The InChIKey is KQYUISGHZAQJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-26(15-22(27)24-16-8-3-2-4-9-16)23(28)18-14-20(21-12-7-13-29-21)25-19-11-6-5-10-17(18)19/h2-14H,15H2,1H3,(H,24,27).
What are the key properties of N-(2-anilino-2-oxoethyl)-2-(furan-2-yl)-N-methylquinoline-4-carboxamide?
N-(2-anilino-2-oxoethyl)-2-(furan-2-yl)-N-methylquinoline-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-2-(furan-2-yl)-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 55638886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).