3,4-dimethyl-N-quinolin-8-ylbenzamide

C18H16N2O — CID 835411

IUPAC3,4-dimethyl-N-quinolin-8-ylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc3cccnc23)cc1C
InChIInChI=1S/C18H16N2O/c1-12-8-9-15(11-13(12)2)18(21)20-16-7-3-5-14-6-4-10-19-17(14)16/h3-11H,1-2H3,(H,20,21)
InChIKeyISAYRDBWTLRBCC-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.10
Rot. Bonds2

About 3,4-dimethyl-N-quinolin-8-ylbenzamide

3,4-dimethyl-N-quinolin-8-ylbenzamide (PubChem CID 835411) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3,4-dimethyl-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-quinolin-8-ylbenzamide
PubChem CID835411
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3,4-dimethyl-N-quinolin-8-ylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc3cccnc23)cc1C
InChIInChI=1S/C18H16N2O/c1-12-8-9-15(11-13(12)2)18(21)20-16-7-3-5-14-6-4-10-19-17(14)16/h3-11H,1-2H3,(H,20,21)
InChIKeyISAYRDBWTLRBCC-UHFFFAOYSA-N
XLogP4.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4-dimethyl-N-quinolin-8-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-quinolin-8-ylbenzamide?
The IUPAC name of 3,4-dimethyl-N-quinolin-8-ylbenzamide (CID 835411) is 3,4-dimethyl-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 3,4-dimethyl-N-quinolin-8-ylbenzamide?
The canonical SMILES for 3,4-dimethyl-N-quinolin-8-ylbenzamide is Cc1ccc(C(=O)Nc2cccc3cccnc23)cc1C.
What is the InChIKey of 3,4-dimethyl-N-quinolin-8-ylbenzamide?
The InChIKey is ISAYRDBWTLRBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-8-9-15(11-13(12)2)18(21)20-16-7-3-5-14-6-4-10-19-17(14)16/h3-11H,1-2H3,(H,20,21).
What are the key properties of 3,4-dimethyl-N-quinolin-8-ylbenzamide?
3,4-dimethyl-N-quinolin-8-ylbenzamide has a molecular weight of 276.34 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 835411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).