(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-pyridin-4-ylmethanone

C19H16N4O2 — CID 57399873

IUPAC(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-pyridin-4-ylmethanone
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(C(=O)c3ccncc3)c2c1
InChIInChI=1S/C19H16N4O2/c1-10-8-13(25-3)9-14-16(18(24)12-4-6-20-7-5-12)15-11(2)22-23-19(15)21-17(10)14/h4-9H,1-3H3,(H,21,22,23)
InChIKeyZOEHZUYFQSNPPR-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.36
Rot. Bonds3

About (6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-pyridin-4-ylmethanone

(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-pyridin-4-ylmethanone (PubChem CID 57399873) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is (6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-pyridin-4-ylmethanone
PubChem CID57399873
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-pyridin-4-ylmethanone
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(C(=O)c3ccncc3)c2c1
InChIInChI=1S/C19H16N4O2/c1-10-8-13(25-3)9-14-16(18(24)12-4-6-20-7-5-12)15-11(2)22-23-19(15)21-17(10)14/h4-9H,1-3H3,(H,21,22,23)
InChIKeyZOEHZUYFQSNPPR-UHFFFAOYSA-N
XLogP3.36
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-pyridin-4-ylmethanone?
The IUPAC name of (6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-pyridin-4-ylmethanone (CID 57399873) is (6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-pyridin-4-ylmethanone is COc1cc(C)c2nc3n[nH]c(C)c3c(C(=O)c3ccncc3)c2c1.
What is the InChIKey of (6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-pyridin-4-ylmethanone?
The InChIKey is ZOEHZUYFQSNPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-10-8-13(25-3)9-14-16(18(24)12-4-6-20-7-5-12)15-11(2)22-23-19(15)21-17(10)14/h4-9H,1-3H3,(H,21,22,23).
What are the key properties of (6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-pyridin-4-ylmethanone?
(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-pyridin-4-ylmethanone has a molecular weight of 332.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 57399873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).