N-(2,6-dimethylquinolin-5-yl)-4-(tetrazol-1-ylmethyl)benzamide

C20H18N6O — CID 46978677

IUPACN-(2,6-dimethylquinolin-5-yl)-4-(tetrazol-1-ylmethyl)benzamide
SMILESCc1ccc2c(NC(=O)c3ccc(Cn4cnnn4)cc3)c(C)ccc2n1
InChIInChI=1S/C20H18N6O/c1-13-3-10-18-17(9-4-14(2)22-18)19(13)23-20(27)16-7-5-15(6-8-16)11-26-12-21-24-25-26/h3-10,12H,11H2,1-2H3,(H,23,27)
InChIKeyGDJATSRKZHMKTK-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.14
Rot. Bonds4

About N-(2,6-dimethylquinolin-5-yl)-4-(tetrazol-1-ylmethyl)benzamide

N-(2,6-dimethylquinolin-5-yl)-4-(tetrazol-1-ylmethyl)benzamide (PubChem CID 46978677) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-(2,6-dimethylquinolin-5-yl)-4-(tetrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylquinolin-5-yl)-4-(tetrazol-1-ylmethyl)benzamide
PubChem CID46978677
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-(2,6-dimethylquinolin-5-yl)-4-(tetrazol-1-ylmethyl)benzamide
SMILESCc1ccc2c(NC(=O)c3ccc(Cn4cnnn4)cc3)c(C)ccc2n1
InChIInChI=1S/C20H18N6O/c1-13-3-10-18-17(9-4-14(2)22-18)19(13)23-20(27)16-7-5-15(6-8-16)11-26-12-21-24-25-26/h3-10,12H,11H2,1-2H3,(H,23,27)
InChIKeyGDJATSRKZHMKTK-UHFFFAOYSA-N
XLogP3.14
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylquinolin-5-yl)-4-(tetrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(2,6-dimethylquinolin-5-yl)-4-(tetrazol-1-ylmethyl)benzamide (CID 46978677) is N-(2,6-dimethylquinolin-5-yl)-4-(tetrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2,6-dimethylquinolin-5-yl)-4-(tetrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2,6-dimethylquinolin-5-yl)-4-(tetrazol-1-ylmethyl)benzamide is Cc1ccc2c(NC(=O)c3ccc(Cn4cnnn4)cc3)c(C)ccc2n1.
What is the InChIKey of N-(2,6-dimethylquinolin-5-yl)-4-(tetrazol-1-ylmethyl)benzamide?
The InChIKey is GDJATSRKZHMKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-13-3-10-18-17(9-4-14(2)22-18)19(13)23-20(27)16-7-5-15(6-8-16)11-26-12-21-24-25-26/h3-10,12H,11H2,1-2H3,(H,23,27).
What are the key properties of N-(2,6-dimethylquinolin-5-yl)-4-(tetrazol-1-ylmethyl)benzamide?
N-(2,6-dimethylquinolin-5-yl)-4-(tetrazol-1-ylmethyl)benzamide has a molecular weight of 358.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylquinolin-5-yl)-4-(tetrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 46978677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).