2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide

C30H24N2O3 — CID 139200312

IUPAC2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide
SMILESCOc1ccc(-c2cccc(-c3ccc(OC)cc3)c2C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C30H24N2O3/c1-34-23-15-11-20(12-16-23)25-8-4-9-26(21-13-17-24(35-2)18-14-21)28(25)30(33)32-27-10-3-6-22-7-5-19-31-29(22)27/h3-19H,1-2H3,(H,32,33)
InChIKeyPDEXRNBLFWDBPL-UHFFFAOYSA-N
MW460.53 g/mol
LogP6.84
Rot. Bonds6

About 2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide

2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide (PubChem CID 139200312) has the molecular formula C30H24N2O3 and a molecular weight of 460.53 g/mol. Its IUPAC name is 2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide
PubChem CID139200312
Molecular FormulaC30H24N2O3
Molecular Weight460.53 g/mol
Exact Mass460.18
IUPAC Name2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide
SMILESCOc1ccc(-c2cccc(-c3ccc(OC)cc3)c2C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C30H24N2O3/c1-34-23-15-11-20(12-16-23)25-8-4-9-26(21-13-17-24(35-2)18-14-21)28(25)30(33)32-27-10-3-6-22-7-5-19-31-29(22)27/h3-19H,1-2H3,(H,32,33)
InChIKeyPDEXRNBLFWDBPL-UHFFFAOYSA-N
XLogP6.84
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-6-methyl-N-quinolin-8-ylbenzamide
CID 122220942
4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 952487
3-methoxy-N-quinolin-8-ylnaphthalene-2-carboxamide
CID 952605
2-N-(4-methoxyphenyl)-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109093095
4-(4-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109221716
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide
CID 51552903
2-(4-methoxyanilino)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109178089
2-phenyl-N-quinolin-8-yl-6-(2-triethylsilylethyl)benzamide
CID 177432131
N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide
CID 108508241
1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea
CID 95285871
4-methoxy-2-methyl-N-quinolin-8-yl-1H-indole-3-carboxamide
CID 110863455
2-bromo-6-hydroxy-N-quinolin-8-ylbenzamide
CID 174610823

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide?
The IUPAC name of 2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide (CID 139200312) is 2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide?
The canonical SMILES for 2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide is COc1ccc(-c2cccc(-c3ccc(OC)cc3)c2C(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of 2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide?
The InChIKey is PDEXRNBLFWDBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O3/c1-34-23-15-11-20(12-16-23)25-8-4-9-26(21-13-17-24(35-2)18-14-21)28(25)30(33)32-27-10-3-6-22-7-5-19-31-29(22)27/h3-19H,1-2H3,(H,32,33).
What are the key properties of 2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide?
2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide has a molecular weight of 460.53 g/mol, XLogP of 6.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 139200312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).