2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide

C20H21N3O2 — CID 152623988

IUPAC2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide
SMILESCN(C)CCOc1cc(C(=O)Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C20H21N3O2/c1-23(2)12-13-25-19-14-17(16-10-6-7-11-18(16)22-19)20(24)21-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyZCCQDVUIFHQQNR-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.43
Rot. Bonds6

About 2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide

2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide (PubChem CID 152623988) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide
PubChem CID152623988
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide
SMILESCN(C)CCOc1cc(C(=O)Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C20H21N3O2/c1-23(2)12-13-25-19-14-17(16-10-6-7-11-18(16)22-19)20(24)21-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyZCCQDVUIFHQQNR-UHFFFAOYSA-N
XLogP3.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid
CID 61104780
N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide
CID 156634614
2-[2-(diethylamino)ethoxy]-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 28239
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 167851966
2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide
CID 1126008
4-[(2-methoxyquinoline-4-carbonyl)amino]benzoate
CID 6954390
N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane
CID 143047297
N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine
CID 62296307
2-(3-hydroxypropoxy)quinoline-4-carboxylic acid
CID 43332241
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid
CID 79672347
N-[2-[2-(dimethylamino)ethoxy]quinolin-6-yl]acetamide
CID 45273437
2-pentoxyquinoline-4-carbonyl chloride
CID 10423651

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide (CID 152623988) is 2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide is CN(C)CCOc1cc(C(=O)Nc2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide?
The InChIKey is ZCCQDVUIFHQQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-23(2)12-13-25-19-14-17(16-10-6-7-11-18(16)22-19)20(24)21-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide?
2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide is sourced from PubChem (CID 152623988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).