3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one

C25H22N4O4 — CID 135600019

IUPAC3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1cc(OC)c2c(c1)[nH]c(=O)c1c(N)n(-c3ccc(Oc4ccccc4)cc3C)nc12
InChIInChI=1S/C25H22N4O4/c1-14-11-16(33-15-7-5-4-6-8-15)9-10-19(14)29-24(26)22-23(28-29)21-18(27-25(22)30)12-17(31-2)13-20(21)32-3/h4-13H,26H2,1-3H3,(H,27,30)
InChIKeyVIEUPOLPMQGDLK-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.57
Rot. Bonds5

About 3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one

3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135600019) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135600019
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1cc(OC)c2c(c1)[nH]c(=O)c1c(N)n(-c3ccc(Oc4ccccc4)cc3C)nc12
InChIInChI=1S/C25H22N4O4/c1-14-11-16(33-15-7-5-4-6-8-15)9-10-19(14)29-24(26)22-23(28-29)21-18(27-25(22)30)12-17(31-2)13-20(21)32-3/h4-13H,26H2,1-3H3,(H,27,30)
InChIKeyVIEUPOLPMQGDLK-UHFFFAOYSA-N
XLogP4.57
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135600019) is 3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is COc1cc(OC)c2c(c1)[nH]c(=O)c1c(N)n(-c3ccc(Oc4ccccc4)cc3C)nc12.
What is the InChIKey of 3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is VIEUPOLPMQGDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-14-11-16(33-15-7-5-4-6-8-15)9-10-19(14)29-24(26)22-23(28-29)21-18(27-25(22)30)12-17(31-2)13-20(21)32-3/h4-13H,26H2,1-3H3,(H,27,30).
What are the key properties of 3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 442.48 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135600019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).