8-methoxy-3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline

C26H23N3O3 — CID 2135011

IUPAC8-methoxy-3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCOc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4cccc(OC)c4)cc2-3)cc1
InChIInChI=1S/C26H23N3O3/c1-30-19-9-7-18(8-10-19)25-23-16-29(15-17-5-4-6-20(13-17)31-2)24-12-11-21(32-3)14-22(24)26(23)28-27-25/h4-14,16H,15H2,1-3H3
InChIKeyVJYXUDHLUBSYAX-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.28
Rot. Bonds6

About 8-methoxy-3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline

8-methoxy-3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline (PubChem CID 2135011) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 8-methoxy-3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name8-methoxy-3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
PubChem CID2135011
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name8-methoxy-3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCOc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4cccc(OC)c4)cc2-3)cc1
InChIInChI=1S/C26H23N3O3/c1-30-19-9-7-18(8-10-19)25-23-16-29(15-17-5-4-6-20(13-17)31-2)24-12-11-21(32-3)14-22(24)26(23)28-27-25/h4-14,16H,15H2,1-3H3
InChIKeyVJYXUDHLUBSYAX-UHFFFAOYSA-N
XLogP5.28
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?
The IUPAC name of 8-methoxy-3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline (CID 2135011) is 8-methoxy-3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 8-methoxy-3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?
The canonical SMILES for 8-methoxy-3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline is COc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4cccc(OC)c4)cc2-3)cc1.
What is the InChIKey of 8-methoxy-3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?
The InChIKey is VJYXUDHLUBSYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-30-19-9-7-18(8-10-19)25-23-16-29(15-17-5-4-6-20(13-17)31-2)24-12-11-21(32-3)14-22(24)26(23)28-27-25/h4-14,16H,15H2,1-3H3.
What are the key properties of 8-methoxy-3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?
8-methoxy-3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline has a molecular weight of 425.49 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 2135011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).