2-ethyl-9-(oxan-4-ylmethyl)pyrazolo[3,4-c]quinolin-4-amine

C18H22N4O — CID 69349118

IUPAC2-ethyl-9-(oxan-4-ylmethyl)pyrazolo[3,4-c]quinolin-4-amine
SMILESCCn1cc2c(n1)c(N)nc1cccc(CC3CCOCC3)c12
InChIInChI=1S/C18H22N4O/c1-2-22-11-14-16-13(10-12-6-8-23-9-7-12)4-3-5-15(16)20-18(19)17(14)21-22/h3-5,11-12H,2,6-10H2,1H3,(H2,19,20)
InChIKeySVDXQBOPBZLSHW-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.16
Rot. Bonds3

About 2-ethyl-9-(oxan-4-ylmethyl)pyrazolo[3,4-c]quinolin-4-amine

2-ethyl-9-(oxan-4-ylmethyl)pyrazolo[3,4-c]quinolin-4-amine (PubChem CID 69349118) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-ethyl-9-(oxan-4-ylmethyl)pyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound Name2-ethyl-9-(oxan-4-ylmethyl)pyrazolo[3,4-c]quinolin-4-amine
PubChem CID69349118
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-ethyl-9-(oxan-4-ylmethyl)pyrazolo[3,4-c]quinolin-4-amine
SMILESCCn1cc2c(n1)c(N)nc1cccc(CC3CCOCC3)c12
InChIInChI=1S/C18H22N4O/c1-2-22-11-14-16-13(10-12-6-8-23-9-7-12)4-3-5-15(16)20-18(19)17(14)21-22/h3-5,11-12H,2,6-10H2,1H3,(H2,19,20)
InChIKeySVDXQBOPBZLSHW-UHFFFAOYSA-N
XLogP3.16
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-(oxan-4-ylmethyl)pyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of 2-ethyl-9-(oxan-4-ylmethyl)pyrazolo[3,4-c]quinolin-4-amine (CID 69349118) is 2-ethyl-9-(oxan-4-ylmethyl)pyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for 2-ethyl-9-(oxan-4-ylmethyl)pyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for 2-ethyl-9-(oxan-4-ylmethyl)pyrazolo[3,4-c]quinolin-4-amine is CCn1cc2c(n1)c(N)nc1cccc(CC3CCOCC3)c12.
What is the InChIKey of 2-ethyl-9-(oxan-4-ylmethyl)pyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is SVDXQBOPBZLSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-22-11-14-16-13(10-12-6-8-23-9-7-12)4-3-5-15(16)20-18(19)17(14)21-22/h3-5,11-12H,2,6-10H2,1H3,(H2,19,20).
What are the key properties of 2-ethyl-9-(oxan-4-ylmethyl)pyrazolo[3,4-c]quinolin-4-amine?
2-ethyl-9-(oxan-4-ylmethyl)pyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 310.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-(oxan-4-ylmethyl)pyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 69349118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).