3-amino-7,9-dimethoxy-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one

C28H28N4O5 — CID 23153910

IUPAC3-amino-7,9-dimethoxy-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4cc(OC)ccc4C)nc3c3c(OC)cc(OC)cc32)cc1
InChIInChI=1S/C28H28N4O5/c1-16-6-9-19(35-3)12-21(16)32-27(29)25-26(30-32)24-22(13-20(36-4)14-23(24)37-5)31(28(25)33)15-17-7-10-18(34-2)11-8-17/h6-14H,15,29H2,1-5H3
InChIKeyIRPBILOFAFKUHS-UHFFFAOYSA-N
MW500.56 g/mol
LogP4.31
Rot. Bonds7

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

3-amino-7,9-dimethoxy-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (PubChem CID 23153910) has the molecular formula C28H28N4O5 and a molecular weight of 500.56 g/mol. Its IUPAC name is 3-amino-7,9-dimethoxy-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-7,9-dimethoxy-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
PubChem CID23153910
Molecular FormulaC28H28N4O5
Molecular Weight500.56 g/mol
Exact Mass500.21
IUPAC Name3-amino-7,9-dimethoxy-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4cc(OC)ccc4C)nc3c3c(OC)cc(OC)cc32)cc1
InChIInChI=1S/C28H28N4O5/c1-16-6-9-19(35-3)12-21(16)32-27(29)25-26(30-32)24-22(13-20(36-4)14-23(24)37-5)31(28(25)33)15-17-7-10-18(34-2)11-8-17/h6-14H,15,29H2,1-5H3
InChIKeyIRPBILOFAFKUHS-UHFFFAOYSA-N
XLogP4.31
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7,9-dimethoxy-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-7,9-dimethoxy-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (CID 23153910) is 3-amino-7,9-dimethoxy-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-7,9-dimethoxy-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-7,9-dimethoxy-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is COc1ccc(Cn2c(=O)c3c(N)n(-c4cc(OC)ccc4C)nc3c3c(OC)cc(OC)cc32)cc1.
What is the InChIKey of 3-amino-7,9-dimethoxy-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is IRPBILOFAFKUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O5/c1-16-6-9-19(35-3)12-21(16)32-27(29)25-26(30-32)24-22(13-20(36-4)14-23(24)37-5)31(28(25)33)15-17-7-10-18(34-2)11-8-17/h6-14H,15,29H2,1-5H3.
What are the key properties of 3-amino-7,9-dimethoxy-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
3-amino-7,9-dimethoxy-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 500.56 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7,9-dimethoxy-2-(5-methoxy-2-methylphenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 23153910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).