7,8-bis(hydroxymethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid

C12H10N4O4 — CID 70990058

IUPAC7,8-bis(hydroxymethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc2cc(CO)c(CO)cc2n2nnnc12
InChIInChI=1S/C12H10N4O4/c17-4-7-1-6-2-9(12(19)20)11-13-14-15-16(11)10(6)3-8(7)5-18/h1-3,17-18H,4-5H2,(H,19,20)
InChIKeyYMPUKFJXJLFVNY-UHFFFAOYSA-N
MW274.24 g/mol
LogP-0.04
Rot. Bonds3

About 7,8-bis(hydroxymethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid

7,8-bis(hydroxymethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid (PubChem CID 70990058) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is 7,8-bis(hydroxymethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7,8-bis(hydroxymethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid
PubChem CID70990058
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC Name7,8-bis(hydroxymethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc2cc(CO)c(CO)cc2n2nnnc12
InChIInChI=1S/C12H10N4O4/c17-4-7-1-6-2-9(12(19)20)11-13-14-15-16(11)10(6)3-8(7)5-18/h1-3,17-18H,4-5H2,(H,19,20)
InChIKeyYMPUKFJXJLFVNY-UHFFFAOYSA-N
XLogP-0.04
TPSA120.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7,8-bis(hydroxymethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid?
The IUPAC name of 7,8-bis(hydroxymethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid (CID 70990058) is 7,8-bis(hydroxymethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid.
What is the SMILES notation for 7,8-bis(hydroxymethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid?
The canonical SMILES for 7,8-bis(hydroxymethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid is O=C(O)c1cc2cc(CO)c(CO)cc2n2nnnc12.
What is the InChIKey of 7,8-bis(hydroxymethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid?
The InChIKey is YMPUKFJXJLFVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4/c17-4-7-1-6-2-9(12(19)20)11-13-14-15-16(11)10(6)3-8(7)5-18/h1-3,17-18H,4-5H2,(H,19,20).
What are the key properties of 7,8-bis(hydroxymethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid?
7,8-bis(hydroxymethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid has a molecular weight of 274.24 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-bis(hydroxymethyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid is sourced from PubChem (CID 70990058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).