2-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide

C24H20N4O3 — CID 1226456

IUPAC2-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NN=Cc3cccnc3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C24H20N4O3/c1-30-17-9-10-19(23(12-17)31-2)22-13-20(18-7-3-4-8-21(18)27-22)24(29)28-26-15-16-6-5-11-25-14-16/h3-15H,1-2H3,(H,28,29)
InChIKeyZIKXBRICBNAKKS-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.08
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide

2-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide (PubChem CID 1226456) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
PubChem CID1226456
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name2-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NN=Cc3cccnc3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C24H20N4O3/c1-30-17-9-10-19(23(12-17)31-2)22-13-20(18-7-3-4-8-21(18)27-22)24(29)28-26-15-16-6-5-11-25-14-16/h3-15H,1-2H3,(H,28,29)
InChIKeyZIKXBRICBNAKKS-UHFFFAOYSA-N
XLogP4.08
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.08
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

2-(2-methoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
CID 1226438
2-(2-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 5455023
2-(4-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237207
2-(2,4-dimethoxyphenyl)-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 6875005
2-(2-propan-2-yloxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 26871347
2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
CID 26871461
2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
CID 24818728
2-(4-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237208
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 18275081
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 6873344
N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504168
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4306797

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide (CID 1226456) is 2-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NN=Cc3cccnc3)c3ccccc3n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide?
The InChIKey is ZIKXBRICBNAKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-30-17-9-10-19(23(12-17)31-2)22-13-20(18-7-3-4-8-21(18)27-22)24(29)28-26-15-16-6-5-11-25-14-16/h3-15H,1-2H3,(H,28,29).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide?
2-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide is sourced from PubChem (CID 1226456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).