N-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide

C22H25N3O2 — CID 55485654

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C22H25N3O2/c1-3-25(4-2)15-18-11-6-5-10-17(18)14-23-21(26)19-13-16-9-7-8-12-20(16)24-22(19)27/h5-13H,3-4,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyVOHGKZUKJOFGOM-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.30
Rot. Bonds7

About N-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide

N-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 55485654) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID55485654
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C22H25N3O2/c1-3-25(4-2)15-18-11-6-5-10-17(18)14-23-21(26)19-13-16-9-7-8-12-20(16)24-22(19)27/h5-13H,3-4,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyVOHGKZUKJOFGOM-UHFFFAOYSA-N
XLogP3.30
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-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

N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731957
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylsulfonylbenzamide
CID 31311834
N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731918
2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 16589995
2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid
CID 122126262
N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 120650317
N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731587
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-nitrobenzamide
CID 41439050

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide (CID 55485654) is N-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide is CCN(CC)Cc1ccccc1CNC(=O)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is VOHGKZUKJOFGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-25(4-2)15-18-11-6-5-10-17(18)14-23-21(26)19-13-16-9-7-8-12-20(16)24-22(19)27/h5-13H,3-4,14-15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 55485654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).