2,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]quinoline-4-carboxamide

C19H16N6O — CID 18079833

IUPAC2,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)Nc3ccc(-n4cnnn4)cc3)c2c1
InChIInChI=1S/C19H16N6O/c1-12-3-8-18-16(9-12)17(10-13(2)21-18)19(26)22-14-4-6-15(7-5-14)25-11-20-23-24-25/h3-11H,1-2H3,(H,22,26)
InChIKeyGOKZFPCRYYMMFY-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.08
Rot. Bonds3

About 2,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]quinoline-4-carboxamide

2,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]quinoline-4-carboxamide (PubChem CID 18079833) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 2,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]quinoline-4-carboxamide
PubChem CID18079833
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name2,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)Nc3ccc(-n4cnnn4)cc3)c2c1
InChIInChI=1S/C19H16N6O/c1-12-3-8-18-16(9-12)17(10-13(2)21-18)19(26)22-14-4-6-15(7-5-14)25-11-20-23-24-25/h3-11H,1-2H3,(H,22,26)
InChIKeyGOKZFPCRYYMMFY-UHFFFAOYSA-N
XLogP3.08
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729305
6-bromo-2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]quinoline-4-carbohydrazide
CID 60621522
2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 36556980
(E)-3-(2,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 167933207
3-amino-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 61117464
2,6-dimethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]quinoline-4-carboxamide
CID 29195167
2-(4-fluorophenyl)-6-methyl-N-(4-methylphenyl)quinoline-4-carboxamide
CID 42749727
5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 40622208
3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125
6-methyl-N,2-dipyridin-4-ylquinoline-4-carboxamide
CID 899146
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 108802559

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]quinoline-4-carboxamide (CID 18079833) is 2,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]quinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)Nc3ccc(-n4cnnn4)cc3)c2c1.
What is the InChIKey of 2,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]quinoline-4-carboxamide?
The InChIKey is GOKZFPCRYYMMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-12-3-8-18-16(9-12)17(10-13(2)21-18)19(26)22-14-4-6-15(7-5-14)25-11-20-23-24-25/h3-11H,1-2H3,(H,22,26).
What are the key properties of 2,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]quinoline-4-carboxamide?
2,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]quinoline-4-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 18079833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).