6,7-difluoro-3-methyl-4-propoxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline

C19H16F2N4O — CID 22320270

IUPAC6,7-difluoro-3-methyl-4-propoxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline
SMILESCCCOc1c2cc(F)c(F)cc2nc2c1c(C)nn2-c1ccccn1
InChIInChI=1S/C19H16F2N4O/c1-3-8-26-18-12-9-13(20)14(21)10-15(12)23-19-17(18)11(2)24-25(19)16-6-4-5-7-22-16/h4-7,9-10H,3,8H2,1-2H3
InChIKeyQUZPYRWSTHWVKD-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.34
Rot. Bonds4

About 6,7-difluoro-3-methyl-4-propoxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline

6,7-difluoro-3-methyl-4-propoxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline (PubChem CID 22320270) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 6,7-difluoro-3-methyl-4-propoxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name6,7-difluoro-3-methyl-4-propoxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline
PubChem CID22320270
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name6,7-difluoro-3-methyl-4-propoxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline
SMILESCCCOc1c2cc(F)c(F)cc2nc2c1c(C)nn2-c1ccccn1
InChIInChI=1S/C19H16F2N4O/c1-3-8-26-18-12-9-13(20)14(21)10-15(12)23-19-17(18)11(2)24-25(19)16-6-4-5-7-22-16/h4-7,9-10H,3,8H2,1-2H3
InChIKeyQUZPYRWSTHWVKD-UHFFFAOYSA-N
XLogP4.34
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-methyl-4-propoxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline?
The IUPAC name of 6,7-difluoro-3-methyl-4-propoxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline (CID 22320270) is 6,7-difluoro-3-methyl-4-propoxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline.
What is the SMILES notation for 6,7-difluoro-3-methyl-4-propoxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline?
The canonical SMILES for 6,7-difluoro-3-methyl-4-propoxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline is CCCOc1c2cc(F)c(F)cc2nc2c1c(C)nn2-c1ccccn1.
What is the InChIKey of 6,7-difluoro-3-methyl-4-propoxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline?
The InChIKey is QUZPYRWSTHWVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-3-8-26-18-12-9-13(20)14(21)10-15(12)23-19-17(18)11(2)24-25(19)16-6-4-5-7-22-16/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of 6,7-difluoro-3-methyl-4-propoxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline?
6,7-difluoro-3-methyl-4-propoxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline has a molecular weight of 354.36 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-methyl-4-propoxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline is sourced from PubChem (CID 22320270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).