N',N'-diethyl-N-(3-methyl-1-propylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine;dihydrochloride

C20H31Cl2N5 — CID 45052613

IUPACN',N'-diethyl-N-(3-methyl-1-propylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine;dihydrochloride
SMILESCCCn1nc(C)c2c(NCCN(CC)CC)c3ccccc3nc21.Cl.Cl
InChIInChI=1S/C20H29N5.2ClH/c1-5-13-25-20-18(15(4)23-25)19(21-12-14-24(6-2)7-3)16-10-8-9-11-17(16)22-20;;/h8-11H,5-7,12-14H2,1-4H3,(H,21,22);2*1H
InChIKeyUFGIUOLOSSZZHH-UHFFFAOYSA-N
MW412.41 g/mol
LogP4.90
Rot. Bonds8

About N',N'-diethyl-N-(3-methyl-1-propylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine;dihydrochloride

N',N'-diethyl-N-(3-methyl-1-propylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine;dihydrochloride (PubChem CID 45052613) has the molecular formula C20H31Cl2N5 and a molecular weight of 412.41 g/mol. Its IUPAC name is N',N'-diethyl-N-(3-methyl-1-propylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN',N'-diethyl-N-(3-methyl-1-propylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine;dihydrochloride
PubChem CID45052613
Molecular FormulaC20H31Cl2N5
Molecular Weight412.41 g/mol
Exact Mass411.20
IUPAC NameN',N'-diethyl-N-(3-methyl-1-propylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine;dihydrochloride
SMILESCCCn1nc(C)c2c(NCCN(CC)CC)c3ccccc3nc21.Cl.Cl
InChIInChI=1S/C20H29N5.2ClH/c1-5-13-25-20-18(15(4)23-25)19(21-12-14-24(6-2)7-3)16-10-8-9-11-17(16)22-20;;/h8-11H,5-7,12-14H2,1-4H3,(H,21,22);2*1H
InChIKeyUFGIUOLOSSZZHH-UHFFFAOYSA-N
XLogP4.90
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N',N'-diethyl-N-(3-methyl-1-propylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine;dihydrochloride with MolForge

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Related Compounds

Imiquimod
CID 57469
4-Amino-2-((ethylamino)methyl)-alpha,alpha-dimethyl-1H-imidazo(4,5-c)quinoline-1-ethanol
CID 44592366
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CID 6603857
Ldn-212854
CID 60182388
1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667632
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
1-[[4-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5-C]quinolin-4-Amine
CID 52945312
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
(8-Fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine
CID 6401723
1[2(3Fluorophenyl)5H,6H,7H,8Hpyrazolo[3,2b]quinazolin9yl]piperazine (Inh 6)
CID 1441765
1,3-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327820

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(3-methyl-1-propylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N',N'-diethyl-N-(3-methyl-1-propylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine;dihydrochloride (CID 45052613) is N',N'-diethyl-N-(3-methyl-1-propylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N',N'-diethyl-N-(3-methyl-1-propylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N',N'-diethyl-N-(3-methyl-1-propylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine;dihydrochloride is CCCn1nc(C)c2c(NCCN(CC)CC)c3ccccc3nc21.Cl.Cl.
What is the InChIKey of N',N'-diethyl-N-(3-methyl-1-propylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is UFGIUOLOSSZZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5.2ClH/c1-5-13-25-20-18(15(4)23-25)19(21-12-14-24(6-2)7-3)16-10-8-9-11-17(16)22-20;;/h8-11H,5-7,12-14H2,1-4H3,(H,21,22);2*1H.
What are the key properties of N',N'-diethyl-N-(3-methyl-1-propylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine;dihydrochloride?
N',N'-diethyl-N-(3-methyl-1-propylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 412.41 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(3-methyl-1-propylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 45052613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).