1-ethylpyrazolo[3,4-b]quinolin-3-amine

C12H12N4 — CID 97057381

IUPAC1-ethylpyrazolo[3,4-b]quinolin-3-amine
SMILESCCn1nc(N)c2cc3ccccc3nc21
InChIInChI=1S/C12H12N4/c1-2-16-12-9(11(13)15-16)7-8-5-3-4-6-10(8)14-12/h3-7H,2H2,1H3,(H2,13,15)
InChIKeyNMZXWDRVKFKNOD-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.19
Rot. Bonds1

About 1-ethylpyrazolo[3,4-b]quinolin-3-amine

1-ethylpyrazolo[3,4-b]quinolin-3-amine (PubChem CID 97057381) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-ethylpyrazolo[3,4-b]quinolin-3-amine.

Molecular Properties

Compound Name1-ethylpyrazolo[3,4-b]quinolin-3-amine
PubChem CID97057381
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name1-ethylpyrazolo[3,4-b]quinolin-3-amine
SMILESCCn1nc(N)c2cc3ccccc3nc21
InChIInChI=1S/C12H12N4/c1-2-16-12-9(11(13)15-16)7-8-5-3-4-6-10(8)14-12/h3-7H,2H2,1H3,(H2,13,15)
InChIKeyNMZXWDRVKFKNOD-UHFFFAOYSA-N
XLogP2.19
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide
CID 937036
5-[(1-ethylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoate
CID 7258209
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide
CID 3162714
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide
CID 17101128
4-chloro-1-ethylpyrazolo[3,4-b]quinoline
CID 15816908
3-butan-2-ylquinolin-2-amine
CID 118184851
3-methyl-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide
CID 938534
1-[2-(diethylamino)ethyl]indazol-3-amine
CID 107913543
acridine;ethane
CID 123684759
1-(2-aminoethyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine;dihydrochloride
CID 66958748
3-[[cyclopentyl(ethyl)amino]methyl]quinolin-2-amine
CID 62183102
4-tert-butyl-N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)benzamide
CID 3422588

Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrazolo[3,4-b]quinolin-3-amine?
The IUPAC name of 1-ethylpyrazolo[3,4-b]quinolin-3-amine (CID 97057381) is 1-ethylpyrazolo[3,4-b]quinolin-3-amine.
What is the SMILES notation for 1-ethylpyrazolo[3,4-b]quinolin-3-amine?
The canonical SMILES for 1-ethylpyrazolo[3,4-b]quinolin-3-amine is CCn1nc(N)c2cc3ccccc3nc21.
What is the InChIKey of 1-ethylpyrazolo[3,4-b]quinolin-3-amine?
The InChIKey is NMZXWDRVKFKNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-2-16-12-9(11(13)15-16)7-8-5-3-4-6-10(8)14-12/h3-7H,2H2,1H3,(H2,13,15).
What are the key properties of 1-ethylpyrazolo[3,4-b]quinolin-3-amine?
1-ethylpyrazolo[3,4-b]quinolin-3-amine has a molecular weight of 212.26 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrazolo[3,4-b]quinolin-3-amine is sourced from PubChem (CID 97057381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).