N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide

C20H19N3O2 — CID 70751619

IUPACN-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESCN(Cc1cccc2ncccc12)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-23(14-16-9-5-11-18-17(16)10-6-12-21-18)19(24)13-22-20(25)15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,22,25)
InChIKeyIPUPYXVOAJJXJB-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.62
Rot. Bonds5

About N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide

N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide (PubChem CID 70751619) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide
PubChem CID70751619
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESCN(Cc1cccc2ncccc12)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-23(14-16-9-5-11-18-17(16)10-6-12-21-18)19(24)13-22-20(25)15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,22,25)
InChIKeyIPUPYXVOAJJXJB-UHFFFAOYSA-N
XLogP2.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide
CID 9166749
2-(2-methoxyphenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 70744785
3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide
CID 70709829
N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 110743929
N-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide
CID 86832135
propan-2-yl N-methyl-N-(quinolin-5-ylmethyl)carbamate
CID 135388422
N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide
CID 79381250
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 30905036
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide
CID 70732520
4-methyl-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135903821
N-methyl-2-oxo-6-phenyl-N-(quinolin-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 56908393
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 56905403

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide (CID 70751619) is N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide is CN(Cc1cccc2ncccc12)C(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is IPUPYXVOAJJXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-23(14-16-9-5-11-18-17(16)10-6-12-21-18)19(24)13-22-20(25)15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,22,25).
What are the key properties of N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide?
N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 333.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 70751619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).