2-(2,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide

C27H26N4O3 — CID 25237309

IUPAC2-(2,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccnc3)c3ccccc3n2)c(OCC)c1
InChIInChI=1S/C27H26N4O3/c1-4-33-20-12-13-22(26(15-20)34-5-2)25-16-23(21-10-6-7-11-24(21)29-25)27(32)31-30-18(3)19-9-8-14-28-17-19/h6-17H,4-5H2,1-3H3,(H,31,32)/b30-18+
InChIKeyHWQUGDSCEOXIRB-UXHLAJHPSA-N
MW454.53 g/mol
LogP5.25
Rot. Bonds8

About 2-(2,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide

2-(2,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide (PubChem CID 25237309) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-(2,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
PubChem CID25237309
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name2-(2,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccnc3)c3ccccc3n2)c(OCC)c1
InChIInChI=1S/C27H26N4O3/c1-4-33-20-12-13-22(26(15-20)34-5-2)25-16-23(21-10-6-7-11-24(21)29-25)27(32)31-30-18(3)19-9-8-14-28-17-19/h6-17H,4-5H2,1-3H3,(H,31,32)/b30-18+
InChIKeyHWQUGDSCEOXIRB-UXHLAJHPSA-N
XLogP5.25
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,2-Dimethyl-6-{[7-(2-Morpholin-4-Ylethoxy)quinolin-4-Yl]oxy}-1-Benzofuran-3-Carboxamide
CID 11236560
N-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2642647
N-(2-methoxybenzyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 3554156
2-(2-ethoxyphenyl)-N'-(3-pyridinylmethylene)-4-quinolinecarbohydrazide
CID 6874743
2-(2-methoxyphenyl)-N'-[(5-methyl-2-furyl)methylene]-4-quinolinecarbohydrazide
CID 6874987
N'-(2-furylmethylene)-2-(4-pyridinyl)-4-quinolinecarbohydrazide
CID 9563619
2-(4-ethoxyphenyl)-N'-(4-hydroxybenzylidene)-4-quinolinecarbohydrazide
CID 135533594
2-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 1220321
N'-[(E)-(2,4-dimethoxyphenyl)methylidene]-2-phenylquinoline-4-carbohydrazide
CID 6880179
2-(4-Methoxy-phenyl)-4-(5-pyridin-4-yl-[1,3,4]oxadiazol-2-yl)-quinoline
CID 1151462
6-[(7-Methoxy-4-quinolinyl)oxy]-1-naphthalenecarboxamide
CID 24823095
N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-2-(2-methoxyphenyl)-4-quinolinecarbohydrazide
CID 5433358

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide (CID 25237309) is 2-(2,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide is CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccnc3)c3ccccc3n2)c(OCC)c1.
What is the InChIKey of 2-(2,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
The InChIKey is HWQUGDSCEOXIRB-UXHLAJHPSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-4-33-20-12-13-22(26(15-20)34-5-2)25-16-23(21-10-6-7-11-24(21)29-25)27(32)31-30-18(3)19-9-8-14-28-17-19/h6-17H,4-5H2,1-3H3,(H,31,32)/b30-18+.
What are the key properties of 2-(2,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide?
2-(2,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 25237309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).