N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide

C25H23N3O3 — CID 50798247

IUPACN-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1
InChIInChI=1S/C25H23N3O3/c1-3-30-17-12-13-24(31-4-2)23(15-17)28-25(29)19-16-22(21-11-7-8-14-26-21)27-20-10-6-5-9-18(19)20/h5-16H,3-4H2,1-2H3,(H,28,29)
InChIKeyUMLMPTPLAXDINI-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.35
Rot. Bonds7

About N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide

N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 50798247) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID50798247
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1
InChIInChI=1S/C25H23N3O3/c1-3-30-17-12-13-24(31-4-2)23(15-17)28-25(29)19-16-22(21-11-7-8-14-26-21)27-20-10-6-5-9-18(19)20/h5-16H,3-4H2,1-2H3,(H,28,29)
InChIKeyUMLMPTPLAXDINI-UHFFFAOYSA-N
XLogP5.35
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353296
2-(3-ethoxyphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 1011517
N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 1257102
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 4216551
2-(4-ethoxyphenyl)-N-(3-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 1358364
2-(4-ethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide
CID 1290094
N-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 2165739
2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 5239510
N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 3391261
2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 4611145

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 50798247) is N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide is CCOc1ccc(OCC)c(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is UMLMPTPLAXDINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-3-30-17-12-13-24(31-4-2)23(15-17)28-25(29)19-16-22(21-11-7-8-14-26-21)27-20-10-6-5-9-18(19)20/h5-16H,3-4H2,1-2H3,(H,28,29).
What are the key properties of N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 50798247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).