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

C18H14N6O — CID 844547

IUPAC2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nn[nH]n3)c3ccccc3n2)cc1
InChIInChI=1S/C18H14N6O/c1-11-6-8-12(9-7-11)16-10-14(13-4-2-3-5-15(13)19-16)17(25)20-18-21-23-24-22-18/h2-10H,1H3,(H2,20,21,22,23,24,25)
InChIKeyBQPUACFYJCNWEW-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.98
Rot. Bonds3

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

2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide (PubChem CID 844547) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide
PubChem CID844547
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nn[nH]n3)c3ccccc3n2)cc1
InChIInChI=1S/C18H14N6O/c1-11-6-8-12(9-7-11)16-10-14(13-4-2-3-5-15(13)19-16)17(25)20-18-21-23-24-22-18/h2-10H,1H3,(H2,20,21,22,23,24,25)
InChIKeyBQPUACFYJCNWEW-UHFFFAOYSA-N
XLogP2.98
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-quinolin-2-ylbenzamide
CID 2812455
2-(2,4-dimethylphenyl)-N-(1H-tetraazol-5-yl)-4-quinolinecarboxamide
CID 845043
2-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide
CID 868748
2-{[2-(4-tert-butylphenyl)-4-quinolinyl]carbonyl}-N-phenylhydrazinecarboxamide
CID 994955
Indolo[1,2-a]quinazolin-5(6H)-one, 7-(1H-tetrazol-5-ylmethyl)-(9CI)
CID 9904988
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 1186276
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenyl-4-quinolinecarboxamide
CID 2914673
N-(5-neopentyl-1,3,4-thiadiazol-2-yl)-2-phenyl-4-quinolinecarboxamide
CID 4615861
2-methyl-N-phenylquinoline-4-carboxamide
CID 856096
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 2083477
2-methyl-N'-(4-methylbenzoyl)quinoline-4-carbohydrazide
CID 2102383
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 2125800

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide (CID 844547) is 2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3nn[nH]n3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide?
The InChIKey is BQPUACFYJCNWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c1-11-6-8-12(9-7-11)16-10-14(13-4-2-3-5-15(13)19-16)17(25)20-18-21-23-24-22-18/h2-10H,1H3,(H2,20,21,22,23,24,25).
What are the key properties of 2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide?
2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide is sourced from PubChem (CID 844547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).