2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dimethylpyrazolo[3,4-b]quinolin-4-one

C19H26N4O2 — CID 4156685

IUPAC2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dimethylpyrazolo[3,4-b]quinolin-4-one
SMILESCCN(CC)CCn1nc2c(c1C)c(=O)c1cc(OC)ccc1n2C
InChIInChI=1S/C19H26N4O2/c1-6-22(7-2)10-11-23-13(3)17-18(24)15-12-14(25-5)8-9-16(15)21(4)19(17)20-23/h8-9,12H,6-7,10-11H2,1-5H3
InChIKeyYUGJLXLFBFLSGF-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.55
Rot. Bonds6

About 2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dimethylpyrazolo[3,4-b]quinolin-4-one

2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dimethylpyrazolo[3,4-b]quinolin-4-one (PubChem CID 4156685) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dimethylpyrazolo[3,4-b]quinolin-4-one.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dimethylpyrazolo[3,4-b]quinolin-4-one
PubChem CID4156685
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dimethylpyrazolo[3,4-b]quinolin-4-one
SMILESCCN(CC)CCn1nc2c(c1C)c(=O)c1cc(OC)ccc1n2C
InChIInChI=1S/C19H26N4O2/c1-6-22(7-2)10-11-23-13(3)17-18(24)15-12-14(25-5)8-9-16(15)21(4)19(17)20-23/h8-9,12H,6-7,10-11H2,1-5H3
InChIKeyYUGJLXLFBFLSGF-UHFFFAOYSA-N
XLogP2.55
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dimethylpyrazolo[3,4-b]quinolin-4-one?
The IUPAC name of 2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dimethylpyrazolo[3,4-b]quinolin-4-one (CID 4156685) is 2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dimethylpyrazolo[3,4-b]quinolin-4-one.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dimethylpyrazolo[3,4-b]quinolin-4-one?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dimethylpyrazolo[3,4-b]quinolin-4-one is CCN(CC)CCn1nc2c(c1C)c(=O)c1cc(OC)ccc1n2C.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dimethylpyrazolo[3,4-b]quinolin-4-one?
The InChIKey is YUGJLXLFBFLSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-6-22(7-2)10-11-23-13(3)17-18(24)15-12-14(25-5)8-9-16(15)21(4)19(17)20-23/h8-9,12H,6-7,10-11H2,1-5H3.
What are the key properties of 2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dimethylpyrazolo[3,4-b]quinolin-4-one?
2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dimethylpyrazolo[3,4-b]quinolin-4-one has a molecular weight of 342.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dimethylpyrazolo[3,4-b]quinolin-4-one is sourced from PubChem (CID 4156685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).