2-thiophen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinoline-4-carboxamide

C25H23N3O4S — CID 3309651

IUPAC2-thiophen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinoline-4-carboxamide
SMILESCOc1cc(C(C)=NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C25H23N3O4S/c1-15(16-12-21(30-2)24(32-4)22(13-16)31-3)27-28-25(29)18-14-20(23-10-7-11-33-23)26-19-9-6-5-8-17(18)19/h5-14H,1-4H3,(H,28,29)
InChIKeyFWJOKWOSYPVLDW-UHFFFAOYSA-N
MW461.54 g/mol
LogP5.14
Rot. Bonds7

About 2-thiophen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinoline-4-carboxamide

2-thiophen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinoline-4-carboxamide (PubChem CID 3309651) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinoline-4-carboxamide
PubChem CID3309651
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC Name2-thiophen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinoline-4-carboxamide
SMILESCOc1cc(C(C)=NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C25H23N3O4S/c1-15(16-12-21(30-2)24(32-4)22(13-16)31-3)27-28-25(29)18-14-20(23-10-7-11-33-23)26-19-9-6-5-8-17(18)19/h5-14H,1-4H3,(H,28,29)
InChIKeyFWJOKWOSYPVLDW-UHFFFAOYSA-N
XLogP5.14
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.54
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

[2,6-dimethoxy-4-[[(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinylidene]methyl]phenyl] acetate
CID 4209915
methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 1261711
N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 998090
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261789
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15988959
2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
CID 8007643
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 31835498
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
CID 6873662
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 135621517

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-thiophen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinoline-4-carboxamide (CID 3309651) is 2-thiophen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-thiophen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-thiophen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinoline-4-carboxamide is COc1cc(C(C)=NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc(OC)c1OC.
What is the InChIKey of 2-thiophen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinoline-4-carboxamide?
The InChIKey is FWJOKWOSYPVLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-15(16-12-21(30-2)24(32-4)22(13-16)31-3)27-28-25(29)18-14-20(23-10-7-11-33-23)26-19-9-6-5-8-17(18)19/h5-14H,1-4H3,(H,28,29).
What are the key properties of 2-thiophen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinoline-4-carboxamide?
2-thiophen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinoline-4-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 3309651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).