9-(2-chlorophenyl)-6,8-dimethoxy-3-methylpyrazolo[5,4-c]cinnoline

C18H15ClN4O2 — CID 90040145

IUPAC9-(2-chlorophenyl)-6,8-dimethoxy-3-methylpyrazolo[5,4-c]cinnoline
SMILESCOc1cc(OC)c2nnc3c(cnn3C)c2c1-c1ccccc1Cl
InChIInChI=1S/C18H15ClN4O2/c1-23-18-11(9-20-23)16-15(10-6-4-5-7-12(10)19)13(24-2)8-14(25-3)17(16)21-22-18/h4-9H,1-3H3
InChIKeyLJDBKTMDSXNZHX-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.85
Rot. Bonds3

About 9-(2-chlorophenyl)-6,8-dimethoxy-3-methylpyrazolo[5,4-c]cinnoline

9-(2-chlorophenyl)-6,8-dimethoxy-3-methylpyrazolo[5,4-c]cinnoline (PubChem CID 90040145) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 9-(2-chlorophenyl)-6,8-dimethoxy-3-methylpyrazolo[5,4-c]cinnoline.

Molecular Properties

Compound Name9-(2-chlorophenyl)-6,8-dimethoxy-3-methylpyrazolo[5,4-c]cinnoline
PubChem CID90040145
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name9-(2-chlorophenyl)-6,8-dimethoxy-3-methylpyrazolo[5,4-c]cinnoline
SMILESCOc1cc(OC)c2nnc3c(cnn3C)c2c1-c1ccccc1Cl
InChIInChI=1S/C18H15ClN4O2/c1-23-18-11(9-20-23)16-15(10-6-4-5-7-12(10)19)13(24-2)8-14(25-3)17(16)21-22-18/h4-9H,1-3H3
InChIKeyLJDBKTMDSXNZHX-UHFFFAOYSA-N
XLogP3.85
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-6-fluoro-8-methoxy-3-methylpyrazolo[3,4-c]cinnoline
CID 73387860
1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid
CID 165354130
6-(2,6-dichlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 56689606
N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 134787708
3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene
CID 174993778
N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103292863
(2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634561
5-chloro-3-(2-methoxyphenyl)-9-methyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 42864317
2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane
CID 175553236
10-methyl-5-(3,4,5-trimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 942892
4-(3,4-dimethoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine
CID 121494736
3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid
CID 82039088

Frequently Asked Questions

What is the IUPAC name of 9-(2-chlorophenyl)-6,8-dimethoxy-3-methylpyrazolo[5,4-c]cinnoline?
The IUPAC name of 9-(2-chlorophenyl)-6,8-dimethoxy-3-methylpyrazolo[5,4-c]cinnoline (CID 90040145) is 9-(2-chlorophenyl)-6,8-dimethoxy-3-methylpyrazolo[5,4-c]cinnoline.
What is the SMILES notation for 9-(2-chlorophenyl)-6,8-dimethoxy-3-methylpyrazolo[5,4-c]cinnoline?
The canonical SMILES for 9-(2-chlorophenyl)-6,8-dimethoxy-3-methylpyrazolo[5,4-c]cinnoline is COc1cc(OC)c2nnc3c(cnn3C)c2c1-c1ccccc1Cl.
What is the InChIKey of 9-(2-chlorophenyl)-6,8-dimethoxy-3-methylpyrazolo[5,4-c]cinnoline?
The InChIKey is LJDBKTMDSXNZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-23-18-11(9-20-23)16-15(10-6-4-5-7-12(10)19)13(24-2)8-14(25-3)17(16)21-22-18/h4-9H,1-3H3.
What are the key properties of 9-(2-chlorophenyl)-6,8-dimethoxy-3-methylpyrazolo[5,4-c]cinnoline?
9-(2-chlorophenyl)-6,8-dimethoxy-3-methylpyrazolo[5,4-c]cinnoline has a molecular weight of 354.80 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chlorophenyl)-6,8-dimethoxy-3-methylpyrazolo[5,4-c]cinnoline is sourced from PubChem (CID 90040145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).