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

C18H13N6O- — CID 5001092

IUPAC2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboximidate
SMILESCc1ccccc1-c1cc(C([O-])=Nc2nn[nH]n2)c2ccccc2n1
InChIInChI=1S/C18H14N6O/c1-11-6-2-3-7-12(11)16-10-14(13-8-4-5-9-15(13)19-16)17(25)20-18-21-23-24-22-18/h2-10H,1H3,(H2,20,21,22,23,24,25)/p-1
InChIKeyDIJLNUZQAWEAOS-UHFFFAOYSA-M
MW329.34 g/mol
LogP2.16
Rot. Bonds3

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

2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboximidate (PubChem CID 5001092) has the molecular formula C18H13N6O- and a molecular weight of 329.34 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboximidate.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboximidate
PubChem CID5001092
Molecular FormulaC18H13N6O-
Molecular Weight329.34 g/mol
Exact Mass329.12
IUPAC Name2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboximidate
SMILESCc1ccccc1-c1cc(C([O-])=Nc2nn[nH]n2)c2ccccc2n1
InChIInChI=1S/C18H14N6O/c1-11-6-2-3-7-12(11)16-10-14(13-8-4-5-9-15(13)19-16)17(25)20-18-21-23-24-22-18/h2-10H,1H3,(H2,20,21,22,23,24,25)/p-1
InChIKeyDIJLNUZQAWEAOS-UHFFFAOYSA-M
XLogP2.16
TPSA102.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboximidate
CID 4745250
2-(2-methylphenyl)-N-[[3-[[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5107909
2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 3276867
4-(dimethylamino)-1-[2-(2-methylphenyl)quinolin-4-yl]butan-1-one
CID 165107845
2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide
CID 845043
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 4051739
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
[4-[2-(2-methylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone
CID 3532742
1-N,4-N-bis(2H-tetrazol-5-yl)benzene-1,4-dicarboximidate
CID 2245163
1-(2-naphthalen-1-ylquinolin-4-yl)ethanone
CID 140742402
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3269613
N-(diaminomethylidene)-8-hydroxy-2-(2-methylphenyl)quinoline-4-carboxamide
CID 19955827

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboximidate?
The IUPAC name of 2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboximidate (CID 5001092) is 2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboximidate.
What is the SMILES notation for 2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboximidate?
The canonical SMILES for 2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboximidate is Cc1ccccc1-c1cc(C([O-])=Nc2nn[nH]n2)c2ccccc2n1.
What is the InChIKey of 2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboximidate?
The InChIKey is DIJLNUZQAWEAOS-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H14N6O/c1-11-6-2-3-7-12(11)16-10-14(13-8-4-5-9-15(13)19-16)17(25)20-18-21-23-24-22-18/h2-10H,1H3,(H2,20,21,22,23,24,25)/p-1.
What are the key properties of 2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboximidate?
2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboximidate has a molecular weight of 329.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboximidate is sourced from PubChem (CID 5001092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).