N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-4-carboxamide

C22H24N4O — CID 6881320

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-4-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C22H24N4O/c1-4-26(5-2)18-12-10-17(11-13-18)15-23-25-22(27)20-14-16(3)24-21-9-7-6-8-19(20)21/h6-15H,4-5H2,1-3H3,(H,25,27)/b23-15+
InChIKeyYMHPXUYAYHUXHX-HZHRSRAPSA-N
MW360.46 g/mol
LogP4.15
Rot. Bonds6

About N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-4-carboxamide

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-4-carboxamide (PubChem CID 6881320) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-4-carboxamide
PubChem CID6881320
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-4-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C22H24N4O/c1-4-26(5-2)18-12-10-17(11-13-18)15-23-25-22(27)20-14-16(3)24-21-9-7-6-8-19(20)21/h6-15H,4-5H2,1-3H3,(H,25,27)/b23-15+
InChIKeyYMHPXUYAYHUXHX-HZHRSRAPSA-N
XLogP4.15
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.15
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

SB 222200
CID 6604009
2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]quinoline-4-carboxamide
CID 6863419
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
2-(4-Aminophenyl)-6-bromoquinoline-4-carbohydrazide
CID 1379186
N-Phenyl-1,2,3,4-tetrahydro-9-acridinecarboxamide
CID 775717
2-Methylquinoline-4-carboxamide
CID 85122
2-Phenylquinoline-4-carbohydrazide
CID 72488
N-[[4-(propylaminocarbamoyl)phenyl]methyl]quinoline-2-carboxamide
CID 162517619
N-[(2-methylquinolin-4-yl)methyl]-2-phenylacetamide
CID 1504523
2-cyclopropyl-N'-[(E)-pyridin-3-ylmethylidene]quinoline-4-carbohydrazide
CID 6884289
2-methyl-N'-[(E)-(6-methylpyridin-2-yl)methylidene]quinoline-4-carbohydrazide
CID 6884455
2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 6884695

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-4-carboxamide (CID 6881320) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-4-carboxamide is CCN(CC)c1ccc(/C=N/NC(=O)c2cc(C)nc3ccccc23)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-4-carboxamide?
The InChIKey is YMHPXUYAYHUXHX-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-26(5-2)18-12-10-17(11-13-18)15-23-25-22(27)20-14-16(3)24-21-9-7-6-8-19(20)21/h6-15H,4-5H2,1-3H3,(H,25,27)/b23-15+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-4-carboxamide?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 6881320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).