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

C20H21N3O2 — CID 26447386

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(C)Cc1ccc(CNC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-23(2)13-15-9-7-14(8-10-15)12-21-20(25)17-11-19(24)22-18-6-4-3-5-16(17)18/h3-11H,12-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyKSWBZVNCGUDKIG-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.52
Rot. Bonds5

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

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 26447386) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID26447386
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(C)Cc1ccc(CNC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-23(2)13-15-9-7-14(8-10-15)12-21-20(25)17-11-19(24)22-18-6-4-3-5-16(17)18/h3-11H,12-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyKSWBZVNCGUDKIG-UHFFFAOYSA-N
XLogP2.52
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3617215
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 27761173
N-benzyl-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 2977763
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 9270290
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 27230253
N-[2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42893716
N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542774
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 34687096
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 17439492
N-(2,3-dihydroxy-2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide
CID 66168370

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide (CID 26447386) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide is CN(C)Cc1ccc(CNC(=O)c2cc(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is KSWBZVNCGUDKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-23(2)13-15-9-7-14(8-10-15)12-21-20(25)17-11-19(24)22-18-6-4-3-5-16(17)18/h3-11H,12-13H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 26447386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).