2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide

C24H20N4O — CID 24818728

IUPAC2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
SMILESCc1ccc(C)c(-c2cc(C(=O)NN=Cc3cccnc3)c3ccccc3n2)c1
InChIInChI=1S/C24H20N4O/c1-16-9-10-17(2)20(12-16)23-13-21(19-7-3-4-8-22(19)27-23)24(29)28-26-15-18-6-5-11-25-14-18/h3-15H,1-2H3,(H,28,29)
InChIKeyGZMGDWIYRDOEQX-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.68
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide

2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide (PubChem CID 24818728) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
PubChem CID24818728
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
SMILESCc1ccc(C)c(-c2cc(C(=O)NN=Cc3cccnc3)c3ccccc3n2)c1
InChIInChI=1S/C24H20N4O/c1-16-9-10-17(2)20(12-16)23-13-21(19-7-3-4-8-22(19)27-23)24(29)28-26-15-18-6-5-11-25-14-18/h3-15H,1-2H3,(H,28,29)
InChIKeyGZMGDWIYRDOEQX-UHFFFAOYSA-N
XLogP4.68
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2082865
2-(2-propan-2-yloxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 26871347
2-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
CID 1226456
2-(4-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237207
2-(4-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237208
N-[(3-fluorophenyl)methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 4670747
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078588
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078505
N-[(2-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3350380
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3477696

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide (CID 24818728) is 2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide is Cc1ccc(C)c(-c2cc(C(=O)NN=Cc3cccnc3)c3ccccc3n2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide?
The InChIKey is GZMGDWIYRDOEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-16-9-10-17(2)20(12-16)23-13-21(19-7-3-4-8-22(19)27-23)24(29)28-26-15-18-6-5-11-25-14-18/h3-15H,1-2H3,(H,28,29).
What are the key properties of 2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide?
2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide is sourced from PubChem (CID 24818728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).