1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]quinolin-4-amine

C20H20N4 — CID 19592226

IUPAC1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]quinolin-4-amine
SMILESCCn1ncc2c(NC(C)c3ccccc3)c3ccccc3nc21
InChIInChI=1S/C20H20N4/c1-3-24-20-17(13-21-24)19(16-11-7-8-12-18(16)23-20)22-14(2)15-9-5-4-6-10-15/h4-14H,3H2,1-2H3,(H,22,23)
InChIKeyHYZMNWZRTJWTHE-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.78
Rot. Bonds4

About 1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]quinolin-4-amine

1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]quinolin-4-amine (PubChem CID 19592226) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]quinolin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]quinolin-4-amine
PubChem CID19592226
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]quinolin-4-amine
SMILESCCn1ncc2c(NC(C)c3ccccc3)c3ccccc3nc21
InChIInChI=1S/C20H20N4/c1-3-24-20-17(13-21-24)19(16-11-7-8-12-18(16)23-20)22-14(2)15-9-5-4-6-10-15/h4-14H,3H2,1-2H3,(H,22,23)
InChIKeyHYZMNWZRTJWTHE-UHFFFAOYSA-N
XLogP4.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]quinolin-4-amine?
The IUPAC name of 1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]quinolin-4-amine (CID 19592226) is 1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]quinolin-4-amine.
What is the SMILES notation for 1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]quinolin-4-amine?
The canonical SMILES for 1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]quinolin-4-amine is CCn1ncc2c(NC(C)c3ccccc3)c3ccccc3nc21.
What is the InChIKey of 1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]quinolin-4-amine?
The InChIKey is HYZMNWZRTJWTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-3-24-20-17(13-21-24)19(16-11-7-8-12-18(16)23-20)22-14(2)15-9-5-4-6-10-15/h4-14H,3H2,1-2H3,(H,22,23).
What are the key properties of 1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]quinolin-4-amine?
1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]quinolin-4-amine has a molecular weight of 316.41 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]quinolin-4-amine is sourced from PubChem (CID 19592226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).