4-[ethyl(methyl)amino]-N-(quinolin-2-ylmethyl)benzamide

C20H21N3O — CID 71936715

IUPAC4-[ethyl(methyl)amino]-N-(quinolin-2-ylmethyl)benzamide
SMILESCCN(C)c1ccc(C(=O)NCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C20H21N3O/c1-3-23(2)18-12-9-16(10-13-18)20(24)21-14-17-11-8-15-6-4-5-7-19(15)22-17/h4-13H,3,14H2,1-2H3,(H,21,24)
InChIKeyOGUXAHKCQHNWJG-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.62
Rot. Bonds5

About 4-[ethyl(methyl)amino]-N-(quinolin-2-ylmethyl)benzamide

4-[ethyl(methyl)amino]-N-(quinolin-2-ylmethyl)benzamide (PubChem CID 71936715) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-N-(quinolin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-N-(quinolin-2-ylmethyl)benzamide
PubChem CID71936715
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name4-[ethyl(methyl)amino]-N-(quinolin-2-ylmethyl)benzamide
SMILESCCN(C)c1ccc(C(=O)NCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C20H21N3O/c1-3-23(2)18-12-9-16(10-13-18)20(24)21-14-17-11-8-15-6-4-5-7-19(15)22-17/h4-13H,3,14H2,1-2H3,(H,21,24)
InChIKeyOGUXAHKCQHNWJG-UHFFFAOYSA-N
XLogP3.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-(quinolin-2-ylmethyl)benzamide
CID 110734068
quinolin-2-ylmethylcarbamothioic S-acid
CID 135200378
3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide
CID 110734097
N-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide
CID 110909622
3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide
CID 77090150
2-oxo-N-(quinolin-2-ylmethyl)chromene-3-carboxamide
CID 110745561
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
N-(2-chlorophenyl)-4-[ethyl(methyl)amino]benzamide
CID 86865212
N-ethyl-N-methylquinoline-2-carboxamide
CID 19793658
4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide
CID 47447689
4-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62307538
[4-(ethylcarbamoyl)phenyl] 4-[ethyl(methyl)amino]benzoate
CID 86960880

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-N-(quinolin-2-ylmethyl)benzamide?
The IUPAC name of 4-[ethyl(methyl)amino]-N-(quinolin-2-ylmethyl)benzamide (CID 71936715) is 4-[ethyl(methyl)amino]-N-(quinolin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[ethyl(methyl)amino]-N-(quinolin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[ethyl(methyl)amino]-N-(quinolin-2-ylmethyl)benzamide is CCN(C)c1ccc(C(=O)NCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 4-[ethyl(methyl)amino]-N-(quinolin-2-ylmethyl)benzamide?
The InChIKey is OGUXAHKCQHNWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-3-23(2)18-12-9-16(10-13-18)20(24)21-14-17-11-8-15-6-4-5-7-19(15)22-17/h4-13H,3,14H2,1-2H3,(H,21,24).
What are the key properties of 4-[ethyl(methyl)amino]-N-(quinolin-2-ylmethyl)benzamide?
4-[ethyl(methyl)amino]-N-(quinolin-2-ylmethyl)benzamide has a molecular weight of 319.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-N-(quinolin-2-ylmethyl)benzamide is sourced from PubChem (CID 71936715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).