N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide

C21H21N3O2 — CID 4786592

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC(=O)Nc2c(C)cccc2C)c2ccccc2n1
InChIInChI=1S/C21H21N3O2/c1-13-7-6-8-14(2)20(13)24-19(25)12-22-21(26)17-11-15(3)23-18-10-5-4-9-16(17)18/h4-11H,12H2,1-3H3,(H,22,26)(H,24,25)
InChIKeyKJIMCUJEASTPFU-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.53
Rot. Bonds4

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide (PubChem CID 4786592) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide
PubChem CID4786592
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC(=O)Nc2c(C)cccc2C)c2ccccc2n1
InChIInChI=1S/C21H21N3O2/c1-13-7-6-8-14(2)20(13)24-19(25)12-22-21(26)17-11-15(3)23-18-10-5-4-9-16(17)18/h4-11H,12H2,1-3H3,(H,22,26)(H,24,25)
InChIKeyKJIMCUJEASTPFU-UHFFFAOYSA-N
XLogP3.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 7648710
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 7535629
2-chloro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]quinoline-4-carboxamide
CID 18283329
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide
CID 26713872
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996
methyl 2-iodo-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103493219
(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 107834591
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
N-(5-iodopentyl)-2-methylquinoline-4-carboxamide
CID 107322663
methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 18729746

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide (CID 4786592) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCC(=O)Nc2c(C)cccc2C)c2ccccc2n1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide?
The InChIKey is KJIMCUJEASTPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13-7-6-8-14(2)20(13)24-19(25)12-22-21(26)17-11-15(3)23-18-10-5-4-9-16(17)18/h4-11H,12H2,1-3H3,(H,22,26)(H,24,25).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 4786592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).