2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide

C25H21N3O2 — CID 50816051

IUPAC2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H21N3O2/c1-17(29)27-20-13-11-19(12-14-20)24-15-22(21-9-5-6-10-23(21)28-24)25(30)26-16-18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,26,30)(H,27,29)
InChIKeyFEVDPDDOTQBOEN-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.79
Rot. Bonds5

About 2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide

2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide (PubChem CID 50816051) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
PubChem CID50816051
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H21N3O2/c1-17(29)27-20-13-11-19(12-14-20)24-15-22(21-9-5-6-10-23(21)28-24)25(30)26-16-18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,26,30)(H,27,29)
InChIKeyFEVDPDDOTQBOEN-UHFFFAOYSA-N
XLogP4.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 50816172
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 17320376
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide
CID 46375317
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
2-(4-acetamidophenyl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]quinoline-4-carboxamide
CID 92728412
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 46494617
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 46541669

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide (CID 50816051) is 2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide is CC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide?
The InChIKey is FEVDPDDOTQBOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-17(29)27-20-13-11-19(12-14-20)24-15-22(21-9-5-6-10-23(21)28-24)25(30)26-16-18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide?
2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide is sourced from PubChem (CID 50816051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).