6-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyridine-2,6-diamine

C16H14N6O — CID 71138816

IUPAC6-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyridine-2,6-diamine
SMILESCOc1ccc2nc(Nc3cccc(N)n3)c3[nH]ncc3c2c1
InChIInChI=1S/C16H14N6O/c1-23-9-5-6-12-10(7-9)11-8-18-22-15(11)16(19-12)21-14-4-2-3-13(17)20-14/h2-8H,1H3,(H,18,22)(H3,17,19,20,21)
InChIKeyXPDHHYDYTRABKE-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.84
Rot. Bonds3

About 6-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyridine-2,6-diamine

6-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyridine-2,6-diamine (PubChem CID 71138816) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 6-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyridine-2,6-diamine
PubChem CID71138816
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name6-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyridine-2,6-diamine
SMILESCOc1ccc2nc(Nc3cccc(N)n3)c3[nH]ncc3c2c1
InChIInChI=1S/C16H14N6O/c1-23-9-5-6-12-10(7-9)11-8-18-22-15(11)16(19-12)21-14-4-2-3-13(17)20-14/h2-8H,1H3,(H,18,22)(H3,17,19,20,21)
InChIKeyXPDHHYDYTRABKE-UHFFFAOYSA-N
XLogP2.84
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyridine-2,6-diamine (CID 71138816) is 6-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyridine-2,6-diamine is COc1ccc2nc(Nc3cccc(N)n3)c3[nH]ncc3c2c1.
What is the InChIKey of 6-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyridine-2,6-diamine?
The InChIKey is XPDHHYDYTRABKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-23-9-5-6-12-10(7-9)11-8-18-22-15(11)16(19-12)21-14-4-2-3-13(17)20-14/h2-8H,1H3,(H,18,22)(H3,17,19,20,21).
What are the key properties of 6-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyridine-2,6-diamine?
6-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyridine-2,6-diamine has a molecular weight of 306.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)pyridine-2,6-diamine is sourced from PubChem (CID 71138816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).