2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide

C24H21N3O3 — CID 46375317

IUPAC2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)NCCc3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C24H21N3O3/c1-16(28)26-18-10-8-17(9-11-18)23-15-21(20-6-2-3-7-22(20)27-23)24(29)25-13-12-19-5-4-14-30-19/h2-11,14-15H,12-13H2,1H3,(H,25,29)(H,26,28)
InChIKeyCGMFDHHEAGMCGS-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.43
Rot. Bonds6

About 2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide

2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide (PubChem CID 46375317) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide
PubChem CID46375317
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)NCCc3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C24H21N3O3/c1-16(28)26-18-10-8-17(9-11-18)23-15-21(20-6-2-3-7-22(20)27-23)24(29)25-13-12-19-5-4-14-30-19/h2-11,14-15H,12-13H2,1H3,(H,25,29)(H,26,28)
InChIKeyCGMFDHHEAGMCGS-UHFFFAOYSA-N
XLogP4.43
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
CID 50816051
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
CID 9079005
2-(4-acetamidophenyl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]quinoline-4-carboxamide
CID 92728412
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2422470
2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 50816172
2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide
CID 9079495
N-[2-(furan-2-yl)ethyl]-2,6-dimethylquinoline-4-carboxamide
CID 18109779

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide (CID 46375317) is 2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide is CC(=O)Nc1ccc(-c2cc(C(=O)NCCc3ccco3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is CGMFDHHEAGMCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16(28)26-18-10-8-17(9-11-18)23-15-21(20-6-2-3-7-22(20)27-23)24(29)25-13-12-19-5-4-14-30-19/h2-11,14-15H,12-13H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide?
2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 46375317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).