N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide

C19H18N4O2 — CID 5347000

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H18N4O2/c1-23(2)14-9-7-13(8-10-14)12-20-22-19(25)16-11-18(24)21-17-6-4-3-5-15(16)17/h3-12H,1-2H3,(H,21,24)(H,22,25)/b20-12+
InChIKeyXKNJSLWWUITSKM-UDWIEESQSA-N
MW334.38 g/mol
LogP2.36
Rot. Bonds4

About N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 5347000) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID5347000
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H18N4O2/c1-23(2)14-9-7-13(8-10-14)12-20-22-19(25)16-11-18(24)21-17-6-4-3-5-15(16)17/h3-12H,1-2H3,(H,21,24)(H,22,25)/b20-12+
InChIKeyXKNJSLWWUITSKM-UDWIEESQSA-N
XLogP2.36
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
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'}

Analyze N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
CID 14983896
N-[[4-(dimethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 4250673
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
CID 135492206
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
CID 14983883
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
CID 135608103
N-[5-(dimethylamino)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51127762
N-(furan-2-ylmethylideneamino)-2-oxo-1H-quinoline-4-carboxamide
CID 2265467
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6868994
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-sulfamoylbenzamide
CID 177470196
methyl N-methyl-N-[4-[(2-oxo-1H-quinoline-4-carbonyl)amino]phenyl]carbamate
CID 94650278
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5410905
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide (CID 5347000) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide is CN(C)c1ccc(/C=N/NC(=O)c2cc(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is XKNJSLWWUITSKM-UDWIEESQSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-23(2)14-9-7-13(8-10-14)12-20-22-19(25)16-11-18(24)21-17-6-4-3-5-15(16)17/h3-12H,1-2H3,(H,21,24)(H,22,25)/b20-12+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 5347000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).