2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide

C19H16N6O — CID 845043

IUPAC2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nn[nH]n3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C19H16N6O/c1-11-7-8-13(12(2)9-11)17-10-15(14-5-3-4-6-16(14)20-17)18(26)21-19-22-24-25-23-19/h3-10H,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyFTGNTKYSUMCBFL-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.28
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide

2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide (PubChem CID 845043) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide
PubChem CID845043
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nn[nH]n3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C19H16N6O/c1-11-7-8-13(12(2)9-11)17-10-15(14-5-3-4-6-16(14)20-17)18(26)21-19-22-24-25-23-19/h3-10H,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyFTGNTKYSUMCBFL-UHFFFAOYSA-N
XLogP3.28
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3129381
2-(2,4-dimethylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 1010315
2-(2,4-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 3707825
2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 5239510
2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
CID 4613424
N-(4-chloro-2-fluorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3298781
N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4306241
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4985663
N-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 32849375
N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3667431
[2-(carbamoylamino)-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 42971764

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide (CID 845043) is 2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3nn[nH]n3)c3ccccc3n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide?
The InChIKey is FTGNTKYSUMCBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-11-7-8-13(12(2)9-11)17-10-15(14-5-3-4-6-16(14)20-17)18(26)21-19-22-24-25-23-19/h3-10H,1-2H3,(H2,21,22,23,24,25,26).
What are the key properties of 2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide?
2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide is sourced from PubChem (CID 845043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).