6-benzyl-7,8-dimethoxy-3H-pyrazolo[5,4-c]cinnoline

C18H16N4O2 — CID 90041141

IUPAC6-benzyl-7,8-dimethoxy-3H-pyrazolo[5,4-c]cinnoline
SMILESCOc1cc2c(nnc3[nH]ncc32)c(Cc2ccccc2)c1OC
InChIInChI=1S/C18H16N4O2/c1-23-15-9-12-14-10-19-21-18(14)22-20-16(12)13(17(15)24-2)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,21,22)
InChIKeyRRRQONSVCCMVLG-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.11
Rot. Bonds4

About 6-benzyl-7,8-dimethoxy-3H-pyrazolo[5,4-c]cinnoline

6-benzyl-7,8-dimethoxy-3H-pyrazolo[5,4-c]cinnoline (PubChem CID 90041141) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-benzyl-7,8-dimethoxy-3H-pyrazolo[5,4-c]cinnoline.

Molecular Properties

Compound Name6-benzyl-7,8-dimethoxy-3H-pyrazolo[5,4-c]cinnoline
PubChem CID90041141
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name6-benzyl-7,8-dimethoxy-3H-pyrazolo[5,4-c]cinnoline
SMILESCOc1cc2c(nnc3[nH]ncc32)c(Cc2ccccc2)c1OC
InChIInChI=1S/C18H16N4O2/c1-23-15-9-12-14-10-19-21-18(14)22-20-16(12)13(17(15)24-2)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,21,22)
InChIKeyRRRQONSVCCMVLG-UHFFFAOYSA-N
XLogP3.11
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7,8-dimethoxy-3H-pyrazolo[5,4-c]cinnoline;hydrochloride
CID 90485964
7,8-bis(2-methoxyphenyl)-3H-pyrazolo[5,4-c]cinnoline
CID 90040214
2-benzyl-1,3-dimethoxy-5-phenylbenzene
CID 16741983
2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
CID 71546977
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
CID 57327464
6-chloro-4-methoxy-1H-pyrazolo[5,4-b]pyridine
CID 150003062
4-[3-[(2-methoxyphenoxy)methyl]phenyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 135455876
N'-[2-(2-benzyl-3,4-dimethoxyphenyl)ethyl]-N-(2-phenylethyl)hexane-1,6-diamine;dihydrochloride
CID 70045441
2-(1-benzyl-6,7-dimethoxyisoquinolin-4-yl)acetonitrile
CID 141101288
N-benzyl-6,7,8-trimethoxyquinazolin-4-amine
CID 18796773

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-7,8-dimethoxy-3H-pyrazolo[5,4-c]cinnoline?
The IUPAC name of 6-benzyl-7,8-dimethoxy-3H-pyrazolo[5,4-c]cinnoline (CID 90041141) is 6-benzyl-7,8-dimethoxy-3H-pyrazolo[5,4-c]cinnoline.
What is the SMILES notation for 6-benzyl-7,8-dimethoxy-3H-pyrazolo[5,4-c]cinnoline?
The canonical SMILES for 6-benzyl-7,8-dimethoxy-3H-pyrazolo[5,4-c]cinnoline is COc1cc2c(nnc3[nH]ncc32)c(Cc2ccccc2)c1OC.
What is the InChIKey of 6-benzyl-7,8-dimethoxy-3H-pyrazolo[5,4-c]cinnoline?
The InChIKey is RRRQONSVCCMVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-23-15-9-12-14-10-19-21-18(14)22-20-16(12)13(17(15)24-2)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,21,22).
What are the key properties of 6-benzyl-7,8-dimethoxy-3H-pyrazolo[5,4-c]cinnoline?
6-benzyl-7,8-dimethoxy-3H-pyrazolo[5,4-c]cinnoline has a molecular weight of 320.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-7,8-dimethoxy-3H-pyrazolo[5,4-c]cinnoline is sourced from PubChem (CID 90041141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).