2-(5-chlorothiophen-2-yl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide

C24H20ClN3O4S — CID 6034382

IUPAC2-(5-chlorothiophen-2-yl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c(OC)c1OC
InChIInChI=1S/C24H20ClN3O4S/c1-30-19-9-8-14(22(31-2)23(19)32-3)13-26-28-24(29)16-12-18(20-10-11-21(25)33-20)27-17-7-5-4-6-15(16)17/h4-13H,1-3H3,(H,28,29)/b26-13-
InChIKeyAFNXYJSHKHJMJC-ZMFRSBBQSA-N
MW481.96 g/mol
LogP5.41
Rot. Bonds7

About 2-(5-chlorothiophen-2-yl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide

2-(5-chlorothiophen-2-yl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide (PubChem CID 6034382) has the molecular formula C24H20ClN3O4S and a molecular weight of 481.96 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
PubChem CID6034382
Molecular FormulaC24H20ClN3O4S
Molecular Weight481.96 g/mol
Exact Mass481.09
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c(OC)c1OC
InChIInChI=1S/C24H20ClN3O4S/c1-30-19-9-8-14(22(31-2)23(19)32-3)13-26-28-24(29)16-12-18(20-10-11-21(25)33-20)27-17-7-5-4-6-15(16)17/h4-13H,1-3H3,(H,28,29)/b26-13-
InChIKeyAFNXYJSHKHJMJC-ZMFRSBBQSA-N
XLogP5.41
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.96
LogP ≤ 55.41
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

N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3897385
2-(3-butoxyphenyl)-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6873333
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 135533609
1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 3617184
[2,6-dimethoxy-4-[[(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinylidene]methyl]phenyl] acetate
CID 4209915
N-[(Z)-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126040006
3-methoxy-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]naphthalene-2-carboxamide
CID 6044173
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 6873349
2-chloro-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 6870033
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 5404495
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 8973347
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 5432429

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide (CID 6034382) is 2-(5-chlorothiophen-2-yl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide is COc1ccc(/C=N\NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c(OC)c1OC.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is AFNXYJSHKHJMJC-ZMFRSBBQSA-N. The full InChI is InChI=1S/C24H20ClN3O4S/c1-30-19-9-8-14(22(31-2)23(19)32-3)13-26-28-24(29)16-12-18(20-10-11-21(25)33-20)27-17-7-5-4-6-15(16)17/h4-13H,1-3H3,(H,28,29)/b26-13-.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 481.96 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6034382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).