N-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide

C17H21N3O2 — CID 155945625

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)N(C)CC(=O)N(C)C)c2c1
InChIInChI=1S/C17H21N3O2/c1-11-6-7-15-13(8-11)14(9-12(2)18-15)17(22)20(5)10-16(21)19(3)4/h6-9H,10H2,1-5H3
InChIKeyWOHFVMDJDMUOIT-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.01
Rot. Bonds3

About N-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide (PubChem CID 155945625) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide
PubChem CID155945625
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)N(C)CC(=O)N(C)C)c2c1
InChIInChI=1S/C17H21N3O2/c1-11-6-7-15-13(8-11)14(9-12(2)18-15)17(22)20(5)10-16(21)19(3)4/h6-9H,10H2,1-5H3
InChIKeyWOHFVMDJDMUOIT-UHFFFAOYSA-N
XLogP2.01
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N,2,6-trimethylquinoline-4-carboxamide
CID 134005674
N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005859
2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide
CID 55370471
N-(2,5-dimethylphenyl)-N-ethyl-2,6-dimethylquinoline-4-carboxamide
CID 55591955
N,2,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]quinoline-4-carboxamide
CID 18120133
N,2,6-trimethyl-N-[3-(3-methylphenoxy)propyl]quinoline-4-carboxamide
CID 70723101
N-(2,4-dimethylphenyl)-N-ethyl-2,6-dimethylquinoline-4-carboxamide
CID 55592541
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,2,6-trimethylquinoline-4-carboxamide
CID 70737422
N,2,6-trimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline-4-carboxamide
CID 70753273
6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
CID 110489255
N-(2-methoxyethyl)-N,2,7-trimethylquinoline-4-carboxamide
CID 46984652
N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylquinoline-4-carboxamide
CID 55664290

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide (CID 155945625) is N-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)N(C)CC(=O)N(C)C)c2c1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide?
The InChIKey is WOHFVMDJDMUOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-6-7-15-13(8-11)14(9-12(2)18-15)17(22)20(5)10-16(21)19(3)4/h6-9H,10H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide is sourced from PubChem (CID 155945625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).