7-(3-chlorophenyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid

C16H9ClN4O2 — CID 90489618

IUPAC7-(3-chlorophenyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3cccc(Cl)c3)ccc2n2nnnc12
InChIInChI=1S/C16H9ClN4O2/c17-12-3-1-2-9(7-12)10-4-5-14-11(6-10)8-13(16(22)23)15-18-19-20-21(14)15/h1-8H,(H,22,23)
InChIKeyVABDDDAVQMRHOC-UHFFFAOYSA-N
MW324.73 g/mol
LogP3.30
Rot. Bonds2

About 7-(3-chlorophenyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid

7-(3-chlorophenyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid (PubChem CID 90489618) has the molecular formula C16H9ClN4O2 and a molecular weight of 324.73 g/mol. Its IUPAC name is 7-(3-chlorophenyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-(3-chlorophenyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid
PubChem CID90489618
Molecular FormulaC16H9ClN4O2
Molecular Weight324.73 g/mol
Exact Mass324.04
IUPAC Name7-(3-chlorophenyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3cccc(Cl)c3)ccc2n2nnnc12
InChIInChI=1S/C16H9ClN4O2/c17-12-3-1-2-9(7-12)10-4-5-14-11(6-10)8-13(16(22)23)15-18-19-20-21(14)15/h1-8H,(H,22,23)
InChIKeyVABDDDAVQMRHOC-UHFFFAOYSA-N
XLogP3.30
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

12,14-dioxa-2,3,4,5-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,7,9,11(15)-hexaene-7-carboxylic acid
CID 59696705
2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565629
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565674
2-[5-(3-chlorophenyl)-4-(4-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetonitrile
CID 90735822
8-azido-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylic acid
CID 59696730
7-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide
CID 59696725
3-(3-chlorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 43141384
3,6-bis(3-chlorophenyl)benzene-1,2,4,5-tetracarboxylic acid
CID 139733778
3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 16653171
9-hydroxytetrazolo[1,5-a]quinoline-4-carboxamide
CID 155581809
5-(3-chlorophenyl)-1-methyltriazole-4-carboxylic acid
CID 82207586
lithium 2-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-2-(4-iodophenyl)acetate
CID 139985973

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid?
The IUPAC name of 7-(3-chlorophenyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid (CID 90489618) is 7-(3-chlorophenyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid.
What is the SMILES notation for 7-(3-chlorophenyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid?
The canonical SMILES for 7-(3-chlorophenyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid is O=C(O)c1cc2cc(-c3cccc(Cl)c3)ccc2n2nnnc12.
What is the InChIKey of 7-(3-chlorophenyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid?
The InChIKey is VABDDDAVQMRHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN4O2/c17-12-3-1-2-9(7-12)10-4-5-14-11(6-10)8-13(16(22)23)15-18-19-20-21(14)15/h1-8H,(H,22,23).
What are the key properties of 7-(3-chlorophenyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid?
7-(3-chlorophenyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid has a molecular weight of 324.73 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid is sourced from PubChem (CID 90489618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).