3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,5-c]quinoline

C20H19N3O2 — CID 53337405

IUPAC3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,5-c]quinoline
SMILESCOc1cc2ncc3c(-c4ccc(C)c(C)c4)n[nH]c3c2cc1OC
InChIInChI=1S/C20H19N3O2/c1-11-5-6-13(7-12(11)2)19-15-10-21-16-9-18(25-4)17(24-3)8-14(16)20(15)23-22-19/h5-10H,1-4H3,(H,22,23)
InChIKeyRHGQVRRZSPCHJT-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.41
Rot. Bonds3

About 3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,5-c]quinoline

3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,5-c]quinoline (PubChem CID 53337405) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,5-c]quinoline
PubChem CID53337405
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,5-c]quinoline
SMILESCOc1cc2ncc3c(-c4ccc(C)c(C)c4)n[nH]c3c2cc1OC
InChIInChI=1S/C20H19N3O2/c1-11-5-6-13(7-12(11)2)19-15-10-21-16-9-18(25-4)17(24-3)8-14(16)20(15)23-22-19/h5-10H,1-4H3,(H,22,23)
InChIKeyRHGQVRRZSPCHJT-UHFFFAOYSA-N
XLogP4.41
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,5-c]quinoline?
The IUPAC name of 3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,5-c]quinoline (CID 53337405) is 3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,5-c]quinoline.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,5-c]quinoline?
The canonical SMILES for 3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,5-c]quinoline is COc1cc2ncc3c(-c4ccc(C)c(C)c4)n[nH]c3c2cc1OC.
What is the InChIKey of 3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,5-c]quinoline?
The InChIKey is RHGQVRRZSPCHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-11-5-6-13(7-12(11)2)19-15-10-21-16-9-18(25-4)17(24-3)8-14(16)20(15)23-22-19/h5-10H,1-4H3,(H,22,23).
What are the key properties of 3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,5-c]quinoline?
3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,5-c]quinoline has a molecular weight of 333.39 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,5-c]quinoline is sourced from PubChem (CID 53337405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).