3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one

C25H22N4O3 — CID 23153925

IUPAC3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4cccc(OC)c4)nc3c3ccccc32)cc1
InChIInChI=1S/C25H22N4O3/c1-31-18-12-10-16(11-13-18)15-28-21-9-4-3-8-20(21)23-22(25(28)30)24(26)29(27-23)17-6-5-7-19(14-17)32-2/h3-14H,15,26H2,1-2H3
InChIKeyVNGGJSHTZZXUTP-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.99
Rot. Bonds5

About 3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one

3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (PubChem CID 23153925) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
PubChem CID23153925
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4cccc(OC)c4)nc3c3ccccc32)cc1
InChIInChI=1S/C25H22N4O3/c1-31-18-12-10-16(11-13-18)15-28-21-9-4-3-8-20(21)23-22(25(28)30)24(26)29(27-23)17-6-5-7-19(14-17)32-2/h3-14H,15,26H2,1-2H3
InChIKeyVNGGJSHTZZXUTP-UHFFFAOYSA-N
XLogP3.99
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (CID 23153925) is 3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is COc1ccc(Cn2c(=O)c3c(N)n(-c4cccc(OC)c4)nc3c3ccccc32)cc1.
What is the InChIKey of 3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is VNGGJSHTZZXUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-31-18-12-10-16(11-13-18)15-28-21-9-4-3-8-20(21)23-22(25(28)30)24(26)29(27-23)17-6-5-7-19(14-17)32-2/h3-14H,15,26H2,1-2H3.
What are the key properties of 3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 426.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 23153925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).