1-(2-aminoethyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine;dihydrochloride

C14H19Cl2N5 — CID 66958748

IUPAC1-(2-aminoethyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine;dihydrochloride
SMILESCCn1nc2c(N)nc3ccccc3c2c1CCN.Cl.Cl
InChIInChI=1S/C14H17N5.2ClH/c1-2-19-11(7-8-15)12-9-5-3-4-6-10(9)17-14(16)13(12)18-19;;/h3-6H,2,7-8,15H2,1H3,(H2,16,17);2*1H
InChIKeyZBIRDCMVZRWZCM-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.53
Rot. Bonds3

About 1-(2-aminoethyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine;dihydrochloride

1-(2-aminoethyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine;dihydrochloride (PubChem CID 66958748) has the molecular formula C14H19Cl2N5 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine;dihydrochloride
PubChem CID66958748
Molecular FormulaC14H19Cl2N5
Molecular Weight328.25 g/mol
Exact Mass327.10
IUPAC Name1-(2-aminoethyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine;dihydrochloride
SMILESCCn1nc2c(N)nc3ccccc3c2c1CCN.Cl.Cl
InChIInChI=1S/C14H17N5.2ClH/c1-2-19-11(7-8-15)12-9-5-3-4-6-10(9)17-14(16)13(12)18-19;;/h3-6H,2,7-8,15H2,1H3,(H2,16,17);2*1H
InChIKeyZBIRDCMVZRWZCM-UHFFFAOYSA-N
XLogP2.53
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(4-amino-2-ethylpyrazolo[3,4-c]quinolin-1-yl)ethyl]carbamate
CID 66958962
N-[2-(4-amino-2-propylpyrazolo[3,4-c]quinolin-1-yl)ethyl]-3-chloropropane-1-sulfonamide
CID 66958452
ethane;1-propyl-2H-pyrazolo[3,4-c]quinolin-4-amine
CID 143094152
2-(2-ethyl-5-methylindazol-3-yl)ethanamine
CID 84721659
1-(3-aminopropyl)imidazo[4,5-c]quinolin-4-amine
CID 18783973
4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride
CID 126622258
9-(4-aminobutyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine
CID 68869782
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
1-ethylpyrazolo[3,4-b]quinolin-3-amine
CID 97057381
2-(2-ethyl-3-methylindazol-4-yl)ethanamine
CID 84721665
2-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine
CID 68871258
1-[1-(2-aminoethoxy)ethyl]imidazo[4,5-c]quinolin-4-amine
CID 152657233

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine;dihydrochloride?
The IUPAC name of 1-(2-aminoethyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine;dihydrochloride (CID 66958748) is 1-(2-aminoethyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine;dihydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine;dihydrochloride?
The canonical SMILES for 1-(2-aminoethyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine;dihydrochloride is CCn1nc2c(N)nc3ccccc3c2c1CCN.Cl.Cl.
What is the InChIKey of 1-(2-aminoethyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine;dihydrochloride?
The InChIKey is ZBIRDCMVZRWZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5.2ClH/c1-2-19-11(7-8-15)12-9-5-3-4-6-10(9)17-14(16)13(12)18-19;;/h3-6H,2,7-8,15H2,1H3,(H2,16,17);2*1H.
What are the key properties of 1-(2-aminoethyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine;dihydrochloride?
1-(2-aminoethyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine;dihydrochloride has a molecular weight of 328.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine;dihydrochloride is sourced from PubChem (CID 66958748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).