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

C20H21N3O2 — CID 9270290

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H21N3O2/c1-22(2)15-10-8-14(9-11-15)13-23(3)20(25)17-12-19(24)21-18-7-5-4-6-16(17)18/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeySCZPYCABRMAUGK-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.87
Rot. Bonds4

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

N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 9270290) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
PubChem CID9270290
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H21N3O2/c1-22(2)15-10-8-14(9-11-15)13-23(3)20(25)17-12-19(24)21-18-7-5-4-6-16(17)18/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeySCZPYCABRMAUGK-UHFFFAOYSA-N
XLogP2.87
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 2977763
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26447386
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2390297
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 16529880
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119654838
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
CID 5347000
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26918563
N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119583320
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethylthiophene-2-carboxamide
CID 78800736
N-[5-(dimethylamino)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51127762
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 18119993
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide (CID 9270290) is N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide is CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is SCZPYCABRMAUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-22(2)15-10-8-14(9-11-15)13-23(3)20(25)17-12-19(24)21-18-7-5-4-6-16(17)18/h4-12H,13H2,1-3H3,(H,21,24).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 9270290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).