9-methoxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide

C12H10N4O2 — CID 155581720

IUPAC9-methoxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide
SMILESCOc1cccc2cc(C(N)=O)c3nncn3c12
InChIInChI=1S/C12H10N4O2/c1-18-9-4-2-3-7-5-8(11(13)17)12-15-14-6-16(12)10(7)9/h2-6H,1H3,(H2,13,17)
InChIKeyXCWFRTKIEUIFRR-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.99
Rot. Bonds2

About 9-methoxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide

9-methoxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide (PubChem CID 155581720) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 9-methoxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide.

Molecular Properties

Compound Name9-methoxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide
PubChem CID155581720
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name9-methoxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide
SMILESCOc1cccc2cc(C(N)=O)c3nncn3c12
InChIInChI=1S/C12H10N4O2/c1-18-9-4-2-3-7-5-8(11(13)17)12-15-14-6-16(12)10(7)9/h2-6H,1H3,(H2,13,17)
InChIKeyXCWFRTKIEUIFRR-UHFFFAOYSA-N
XLogP0.99
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide?
The IUPAC name of 9-methoxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide (CID 155581720) is 9-methoxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide.
What is the SMILES notation for 9-methoxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide?
The canonical SMILES for 9-methoxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide is COc1cccc2cc(C(N)=O)c3nncn3c12.
What is the InChIKey of 9-methoxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide?
The InChIKey is XCWFRTKIEUIFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-18-9-4-2-3-7-5-8(11(13)17)12-15-14-6-16(12)10(7)9/h2-6H,1H3,(H2,13,17).
What are the key properties of 9-methoxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide?
9-methoxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide has a molecular weight of 242.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide is sourced from PubChem (CID 155581720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).