1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide

C24H16N4O2 — CID 109050221

IUPAC1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C24H16N4O2/c25-15-19-5-1-2-8-20(19)27-23(29)17-10-12-18(13-11-17)24(30)28-21-9-3-6-16-7-4-14-26-22(16)21/h1-14H,(H,27,29)(H,28,30)
InChIKeyWGLRLBNNKJBTJQ-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.61
Rot. Bonds4

About 1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide

1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide (PubChem CID 109050221) has the molecular formula C24H16N4O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
PubChem CID109050221
Molecular FormulaC24H16N4O2
Molecular Weight392.42 g/mol
Exact Mass392.13
IUPAC Name1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C24H16N4O2/c25-15-19-5-1-2-8-20(19)27-23(29)17-10-12-18(13-11-17)24(30)28-21-9-3-6-16-7-4-14-26-22(16)21/h1-14H,(H,27,29)(H,28,30)
InChIKeyWGLRLBNNKJBTJQ-UHFFFAOYSA-N
XLogP4.61
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(quinolin-8-ylamino)benzonitrile
CID 28601412
1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109044532
6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 66463068
N-quinolin-8-yl-1H-indole-5-carboxamide
CID 110694998
4-(methylsulfanylmethyl)-N-quinolin-8-ylbenzamide
CID 31289054
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
4-(acetamidomethyl)-N-quinolin-8-ylbenzamide
CID 18196066
4-bromo-3-hydroxy-N-quinolin-8-ylbenzamide
CID 103871242
1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide
CID 110765475
2-[2-[2-(quinolin-8-ylamino)ethylamino]ethylamino]benzonitrile
CID 67942464
5-iodo-N-quinolin-8-ylthiophene-3-carboxamide
CID 78948742
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide (CID 109050221) is 1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide is N#Cc1ccccc1NC(=O)c1ccc(C(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of 1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide?
The InChIKey is WGLRLBNNKJBTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O2/c25-15-19-5-1-2-8-20(19)27-23(29)17-10-12-18(13-11-17)24(30)28-21-9-3-6-16-7-4-14-26-22(16)21/h1-14H,(H,27,29)(H,28,30).
What are the key properties of 1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide?
1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide has a molecular weight of 392.42 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109050221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).