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

C23H19N3O2S — CID 6873639

IUPAC2-(2-methoxyphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N/N=C/c2sccc2C)c2ccccc2n1
InChIInChI=1S/C23H19N3O2S/c1-15-11-12-29-22(15)14-24-26-23(27)18-13-20(17-8-4-6-10-21(17)28-2)25-19-9-5-3-7-16(18)19/h3-14H,1-2H3,(H,26,27)/b24-14+
InChIKeyDNYGCFCSLRQZIP-ZVHZXABRSA-N
MW401.49 g/mol
LogP5.04
Rot. Bonds5

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

2-(2-methoxyphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide (PubChem CID 6873639) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
PubChem CID6873639
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC Name2-(2-methoxyphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N/N=C/c2sccc2C)c2ccccc2n1
InChIInChI=1S/C23H19N3O2S/c1-15-11-12-29-22(15)14-24-26-23(27)18-13-20(17-8-4-6-10-21(17)28-2)25-19-9-5-3-7-16(18)19/h3-14H,1-2H3,(H,26,27)/b24-14+
InChIKeyDNYGCFCSLRQZIP-ZVHZXABRSA-N
XLogP5.04
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.04
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

N'-(2-furylmethylene)-2-(3-methoxyphenyl)-4-quinolinecarbohydrazide
CID 6873468
2-(2-methoxyphenyl)-N'-[(5-methyl-2-furyl)methylene]-4-quinolinecarbohydrazide
CID 6874987
2-(4,6-dimethylquinolin-2-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 9563307
N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-2-(2-methoxyphenyl)-4-quinolinecarbohydrazide
CID 5433358
N'-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylene]-2-(2-methoxyphenyl)-4-quinolinecarbohydrazide
CID 5433359
N'-(3-{2-nitrophenyl}-2-propenylidene)-2-(2-methoxyphenyl)-4-quinolinecarbohydrazide
CID 6874756
N'-[(5-ethyl-2-thienyl)methylene]-2-(2-methoxyphenyl)-4-quinolinecarbohydrazide
CID 6874951
2-(2-methoxyphenyl)-N'-(2-thienylmethylene)-4-quinolinecarbohydrazide
CID 6874962
2-(2,4-dimethoxyphenyl)-N'-[(3-methyl-2-thienyl)methylene]-4-quinolinecarbohydrazide
CID 6875007
N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
CID 9564523
(6-Methoxy-2-methyl-quinolin-4-ylsulfanyl)-acetic acid benzylidene-hydrazide
CID 9564537
(6-Methoxy-2-methyl-quinolin-4-ylsulfanyl)-acetic acid furan-2-ylmethylene-hydrazide
CID 9564539

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide (CID 6873639) is 2-(2-methoxyphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide is COc1ccccc1-c1cc(C(=O)N/N=C/c2sccc2C)c2ccccc2n1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is DNYGCFCSLRQZIP-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-15-11-12-29-22(15)14-24-26-23(27)18-13-20(17-8-4-6-10-21(17)28-2)25-19-9-5-3-7-16(18)19/h3-14H,1-2H3,(H,26,27)/b24-14+.
What are the key properties of 2-(2-methoxyphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide?
2-(2-methoxyphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6873639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).