1-(3,4-dimethylphenyl)-8-methoxy-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline

C26H23N3O2 — CID 20852824

IUPAC1-(3,4-dimethylphenyl)-8-methoxy-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline
SMILESCOc1cccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(OC)cc23)c1
InChIInChI=1S/C26H23N3O2/c1-16-8-9-19(12-17(16)2)29-26-22-14-21(31-4)10-11-24(22)27-15-23(26)25(28-29)18-6-5-7-20(13-18)30-3/h5-15H,1-4H3
InChIKeyPUUKMLXQDJXDJY-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.87
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-8-methoxy-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline

1-(3,4-dimethylphenyl)-8-methoxy-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline (PubChem CID 20852824) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-8-methoxy-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-8-methoxy-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline
PubChem CID20852824
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name1-(3,4-dimethylphenyl)-8-methoxy-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline
SMILESCOc1cccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(OC)cc23)c1
InChIInChI=1S/C26H23N3O2/c1-16-8-9-19(12-17(16)2)29-26-22-14-21(31-4)10-11-24(22)27-15-23(26)25(28-29)18-6-5-7-20(13-18)30-3/h5-15H,1-4H3
InChIKeyPUUKMLXQDJXDJY-UHFFFAOYSA-N
XLogP5.87
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-Methoxy-5,11-Dimethyl-6H-Pyrido(4,3-B)Carbazole
CID 72512
3-(9-Methoxy-5,11-dimethylpyrido(4,3-b)carbazol-6-yl)propan-1-amine
CID 425818
9-Methoxy-2,5,11-trimethyl-6H-pyrido(4,3-b)carbazolium iodide
CID 3086380
4-Methoxy-2-phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11196622
Dihydropyrrolopyrazole, 7f
CID 21992672
9-Methoxy-N(2)-methylellipticinium
CID 125823
3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinoline
CID 15990631
8-ethoxy-3-(3-methoxyphenyl)-1-phenyl-1H-pyrazolo[4,3-c]quinoline
CID 15990640
9-Methoxy-5,6,11-trimethylpyrido[4,3-b]carbazole
CID 97260
9-ethoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
CID 373611
3-(4-Fluorophenyl)-7,8-dimethoxy-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline
CID 2136907
(5-Methoxy-indol-1-yl)-propyl-pyridin-4-yl-amine
CID 10731528

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-8-methoxy-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3,4-dimethylphenyl)-8-methoxy-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline (CID 20852824) is 1-(3,4-dimethylphenyl)-8-methoxy-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-8-methoxy-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3,4-dimethylphenyl)-8-methoxy-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline is COc1cccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(OC)cc23)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-8-methoxy-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline?
The InChIKey is PUUKMLXQDJXDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-16-8-9-19(12-17(16)2)29-26-22-14-21(31-4)10-11-24(22)27-15-23(26)25(28-29)18-6-5-7-20(13-18)30-3/h5-15H,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-8-methoxy-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline?
1-(3,4-dimethylphenyl)-8-methoxy-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline has a molecular weight of 409.49 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-8-methoxy-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).