N-(4H-1,3-benzodioxin-6-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine

C19H16N4O3 — CID 71138817

IUPACN-(4H-1,3-benzodioxin-6-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1ccc2nc(Nc3ccc4c(c3)COCO4)c3[nH]ncc3c2c1
InChIInChI=1S/C19H16N4O3/c1-24-13-3-4-16-14(7-13)15-8-20-23-18(15)19(22-16)21-12-2-5-17-11(6-12)9-25-10-26-17/h2-8H,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyMSWOFHBDMXVGJL-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.73
Rot. Bonds3

About N-(4H-1,3-benzodioxin-6-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine

N-(4H-1,3-benzodioxin-6-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine (PubChem CID 71138817) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-(4H-1,3-benzodioxin-6-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine.

Molecular Properties

Compound NameN-(4H-1,3-benzodioxin-6-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
PubChem CID71138817
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC NameN-(4H-1,3-benzodioxin-6-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1ccc2nc(Nc3ccc4c(c3)COCO4)c3[nH]ncc3c2c1
InChIInChI=1S/C19H16N4O3/c1-24-13-3-4-16-14(7-13)15-8-20-23-18(15)19(22-16)21-12-2-5-17-11(6-12)9-25-10-26-17/h2-8H,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyMSWOFHBDMXVGJL-UHFFFAOYSA-N
XLogP3.73
TPSA81.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4H-1,3-benzodioxin-6-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The IUPAC name of N-(4H-1,3-benzodioxin-6-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine (CID 71138817) is N-(4H-1,3-benzodioxin-6-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine.
What is the SMILES notation for N-(4H-1,3-benzodioxin-6-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The canonical SMILES for N-(4H-1,3-benzodioxin-6-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine is COc1ccc2nc(Nc3ccc4c(c3)COCO4)c3[nH]ncc3c2c1.
What is the InChIKey of N-(4H-1,3-benzodioxin-6-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The InChIKey is MSWOFHBDMXVGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-24-13-3-4-16-14(7-13)15-8-20-23-18(15)19(22-16)21-12-2-5-17-11(6-12)9-25-10-26-17/h2-8H,9-10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(4H-1,3-benzodioxin-6-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
N-(4H-1,3-benzodioxin-6-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine has a molecular weight of 348.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-1,3-benzodioxin-6-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine is sourced from PubChem (CID 71138817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).