2-[2-(diethylamino)ethoxy]-N-(2,6-dimethylphenyl)quinoline-4-carboxamide

C24H29N3O2 — CID 28239

IUPAC2-[2-(diethylamino)ethoxy]-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
SMILESCCN(CC)CCOc1cc(C(=O)Nc2c(C)cccc2C)c2ccccc2n1
InChIInChI=1S/C24H29N3O2/c1-5-27(6-2)14-15-29-22-16-20(19-12-7-8-13-21(19)25-22)24(28)26-23-17(3)10-9-11-18(23)4/h7-13,16H,5-6,14-15H2,1-4H3,(H,26,28)
InChIKeyBIPASTHAYYWKME-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.82
Rot. Bonds8

About 2-[2-(diethylamino)ethoxy]-N-(2,6-dimethylphenyl)quinoline-4-carboxamide

2-[2-(diethylamino)ethoxy]-N-(2,6-dimethylphenyl)quinoline-4-carboxamide (PubChem CID 28239) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]-N-(2,6-dimethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
PubChem CID28239
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-[2-(diethylamino)ethoxy]-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
SMILESCCN(CC)CCOc1cc(C(=O)Nc2c(C)cccc2C)c2ccccc2n1
InChIInChI=1S/C24H29N3O2/c1-5-27(6-2)14-15-29-22-16-20(19-12-7-8-13-21(19)25-22)24(28)26-23-17(3)10-9-11-18(23)4/h7-13,16H,5-6,14-15H2,1-4H3,(H,26,28)
InChIKeyBIPASTHAYYWKME-UHFFFAOYSA-N
XLogP4.82
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide
CID 152623988
2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid
CID 61104780
N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide
CID 155529565
N,N-diethyl-2-[4-(methylaminomethyl)quinolin-2-yl]oxyethanamine
CID 62296835
N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane
CID 143047297
2-aminobenzoic acid;bis(2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide);dihydrochloride
CID 174871279
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996
N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide
CID 156634614
N-(2-ethyl-6-methylphenyl)-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 2965571
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide
CID 4786592
N-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512043
2-(diethylamino)ethyl 4-[(2-naphthalen-1-ylquinoline-4-carbonyl)amino]benzoate
CID 2336394

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]-N-(2,6-dimethylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-[2-(diethylamino)ethoxy]-N-(2,6-dimethylphenyl)quinoline-4-carboxamide (CID 28239) is 2-[2-(diethylamino)ethoxy]-N-(2,6-dimethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]-N-(2,6-dimethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]-N-(2,6-dimethylphenyl)quinoline-4-carboxamide is CCN(CC)CCOc1cc(C(=O)Nc2c(C)cccc2C)c2ccccc2n1.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]-N-(2,6-dimethylphenyl)quinoline-4-carboxamide?
The InChIKey is BIPASTHAYYWKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-5-27(6-2)14-15-29-22-16-20(19-12-7-8-13-21(19)25-22)24(28)26-23-17(3)10-9-11-18(23)4/h7-13,16H,5-6,14-15H2,1-4H3,(H,26,28).
What are the key properties of 2-[2-(diethylamino)ethoxy]-N-(2,6-dimethylphenyl)quinoline-4-carboxamide?
2-[2-(diethylamino)ethoxy]-N-(2,6-dimethylphenyl)quinoline-4-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]-N-(2,6-dimethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 28239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).