3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide

C24H19N3O2 — CID 109057063

IUPAC3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cccc(C(=O)Nc2cccc3cccnc23)c1)c1ccccc1
InChIInChI=1S/C24H19N3O2/c1-27(20-12-3-2-4-13-20)24(29)19-10-5-9-18(16-19)23(28)26-21-14-6-8-17-11-7-15-25-22(17)21/h2-16H,1H3,(H,26,28)
InChIKeyOSGBQTPORXXKSO-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.76
Rot. Bonds4

About 3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide

3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide (PubChem CID 109057063) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide
PubChem CID109057063
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cccc(C(=O)Nc2cccc3cccnc23)c1)c1ccccc1
InChIInChI=1S/C24H19N3O2/c1-27(20-12-3-2-4-13-20)24(29)19-10-5-9-18(16-19)23(28)26-21-14-6-8-17-11-7-15-25-22(17)21/h2-16H,1H3,(H,26,28)
InChIKeyOSGBQTPORXXKSO-UHFFFAOYSA-N
XLogP4.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 109056757
2-[benzyl(methyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide
CID 109170363
5-(N-ethylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109243659
2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109314256
3-[methyl(propan-2-yl)sulfamoyl]-N-quinolin-8-ylbenzamide
CID 26123442
3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-8-ylbenzamide
CID 26123697
1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057070
1-N-(2,6-difluorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057077
3-pyridin-2-yloxy-N-quinolin-8-ylbenzamide
CID 71809896
5-methyl-N-quinolin-8-ylthiophene-3-carboxamide
CID 166451949
N-methyl-N-phenylquinoxalino[2,3-f][4,7]phenanthroline-11-carboxamide
CID 4652927
2-N-(2-tert-butylphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109091415

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide (CID 109057063) is 3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide is CN(C(=O)c1cccc(C(=O)Nc2cccc3cccnc23)c1)c1ccccc1.
What is the InChIKey of 3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide?
The InChIKey is OSGBQTPORXXKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-27(20-12-3-2-4-13-20)24(29)19-10-5-9-18(16-19)23(28)26-21-14-6-8-17-11-7-15-25-22(17)21/h2-16H,1H3,(H,26,28).
What are the key properties of 3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide?
3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide has a molecular weight of 381.44 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109057063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).