[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate

C26H22N4O4 — CID 23931100

IUPAC[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)C(C)OC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1
InChIInChI=1S/C26H22N4O4/c1-16(25(32)29-19-12-10-18(11-13-19)28-17(2)31)34-26(33)21-15-24(23-9-5-6-14-27-23)30-22-8-4-3-7-20(21)22/h3-16H,1-2H3,(H,28,31)(H,29,32)
InChIKeyNJIXOCLFGXKBII-UHFFFAOYSA-N
MW454.49 g/mol
LogP4.44
Rot. Bonds6

About [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate

[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate (PubChem CID 23931100) has the molecular formula C26H22N4O4 and a molecular weight of 454.49 g/mol. Its IUPAC name is [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate
PubChem CID23931100
Molecular FormulaC26H22N4O4
Molecular Weight454.49 g/mol
Exact Mass454.16
IUPAC Name[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)C(C)OC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1
InChIInChI=1S/C26H22N4O4/c1-16(25(32)29-19-12-10-18(11-13-19)28-17(2)31)34-26(33)21-15-24(23-9-5-6-14-27-23)30-22-8-4-3-7-20(21)22/h3-16H,1-2H3,(H,28,31)(H,29,32)
InChIKeyNJIXOCLFGXKBII-UHFFFAOYSA-N
XLogP4.44
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate with MolForge

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Related Compounds

[1-(3-chloroanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate
CID 23795982
[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate
CID 2420567
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3-bromophenyl)quinoline-4-carboxylate
CID 2391509
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2347243
[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 7825067
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 30394729
methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 2220860
[(2R)-1-anilino-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 9009541
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 30803713
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylate
CID 4003521
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 7866906
[1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate
CID 6914942

Frequently Asked Questions

What is the IUPAC name of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate?
The IUPAC name of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate (CID 23931100) is [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate.
What is the SMILES notation for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate?
The canonical SMILES for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate is CC(=O)Nc1ccc(NC(=O)C(C)OC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1.
What is the InChIKey of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate?
The InChIKey is NJIXOCLFGXKBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O4/c1-16(25(32)29-19-12-10-18(11-13-19)28-17(2)31)34-26(33)21-15-24(23-9-5-6-14-27-23)30-22-8-4-3-7-20(21)22/h3-16H,1-2H3,(H,28,31)(H,29,32).
What are the key properties of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate?
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate has a molecular weight of 454.49 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 23931100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).