2-(3-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide

C24H21N3O2S — CID 1012318

IUPAC2-(3-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
SMILESCCOc1cccc(-c2cc(C(=O)NN=Cc3sccc3C)c3ccccc3n2)c1
InChIInChI=1S/C24H21N3O2S/c1-3-29-18-8-6-7-17(13-18)22-14-20(19-9-4-5-10-21(19)26-22)24(28)27-25-15-23-16(2)11-12-30-23/h4-15H,3H2,1-2H3,(H,27,28)
InChIKeyJFJOVCUXDZSDGN-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.43
Rot. Bonds6

About 2-(3-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide

2-(3-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide (PubChem CID 1012318) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
PubChem CID1012318
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name2-(3-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
SMILESCCOc1cccc(-c2cc(C(=O)NN=Cc3sccc3C)c3ccccc3n2)c1
InChIInChI=1S/C24H21N3O2S/c1-3-29-18-8-6-7-17(13-18)22-14-20(19-9-4-5-10-21(19)26-22)24(28)27-25-15-23-16(2)11-12-30-23/h4-15H,3H2,1-2H3,(H,27,28)
InChIKeyJFJOVCUXDZSDGN-UHFFFAOYSA-N
XLogP5.43
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-chlorophenyl)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
CID 6006642
N-[(3-methylthiophen-2-yl)methylideneamino]-2-pyridin-1-ium-4-ylquinoline-4-carboxamide
CID 135505093
2-(4-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237208
2-(3-butoxyphenyl)-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6873333
2-(3-ethoxyphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 1011517
2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide
CID 6873346
N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046703
N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504168
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049590
2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4504169
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 5431086
N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126053693

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(3-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide (CID 1012318) is 2-(3-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(3-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide is CCOc1cccc(-c2cc(C(=O)NN=Cc3sccc3C)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is JFJOVCUXDZSDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-3-29-18-8-6-7-17(13-18)22-14-20(19-9-4-5-10-21(19)26-22)24(28)27-25-15-23-16(2)11-12-30-23/h4-15H,3H2,1-2H3,(H,27,28).
What are the key properties of 2-(3-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide?
2-(3-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 1012318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).