2-(2-methoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide

C23H18N4O2 — CID 1226438

IUPAC2-(2-methoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NN=Cc2cccnc2)c2ccccc2n1
InChIInChI=1S/C23H18N4O2/c1-29-22-11-5-3-9-18(22)21-13-19(17-8-2-4-10-20(17)26-21)23(28)27-25-15-16-7-6-12-24-14-16/h2-15H,1H3,(H,27,28)
InChIKeyCIUOKMGZDGKZPF-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.07
Rot. Bonds5

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

2-(2-methoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide (PubChem CID 1226438) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
PubChem CID1226438
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name2-(2-methoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NN=Cc2cccnc2)c2ccccc2n1
InChIInChI=1S/C23H18N4O2/c1-29-22-11-5-3-9-18(22)21-13-19(17-8-2-4-10-20(17)26-21)23(28)27-25-15-16-7-6-12-24-14-16/h2-15H,1H3,(H,27,28)
InChIKeyCIUOKMGZDGKZPF-UHFFFAOYSA-N
XLogP4.07
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.07
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-(2-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 5455023
2-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
CID 1226456
2-(2-propan-2-yloxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 26871347
2-(4-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237207
2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
CID 24818728
N-[(Z)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 5433954
2-(4-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237208
2-(2-ethoxyphenyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135801083
N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2082865
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 6873344
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 18275081
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 8973347

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide (CID 1226438) is 2-(2-methoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide is COc1ccccc1-c1cc(C(=O)NN=Cc2cccnc2)c2ccccc2n1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide?
The InChIKey is CIUOKMGZDGKZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-29-22-11-5-3-9-18(22)21-13-19(17-8-2-4-10-20(17)26-21)23(28)27-25-15-16-7-6-12-24-14-16/h2-15H,1H3,(H,27,28).
What are the key properties of 2-(2-methoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide?
2-(2-methoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 4.07, 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-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide is sourced from PubChem (CID 1226438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).