3-amino-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one

C28H28N4O4 — CID 23153879

IUPAC3-amino-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4ccc(OC)cc4)nc3c3ccc(OC(C)C)cc32)cc1
InChIInChI=1S/C28H28N4O4/c1-17(2)36-22-13-14-23-24(15-22)31(16-18-5-9-20(34-3)10-6-18)28(33)25-26(23)30-32(27(25)29)19-7-11-21(35-4)12-8-19/h5-15,17H,16,29H2,1-4H3
InChIKeyZGVKTACOVQQORY-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.78
Rot. Bonds7

About 3-amino-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one

3-amino-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one (PubChem CID 23153879) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 3-amino-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one
PubChem CID23153879
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name3-amino-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4ccc(OC)cc4)nc3c3ccc(OC(C)C)cc32)cc1
InChIInChI=1S/C28H28N4O4/c1-17(2)36-22-13-14-23-24(15-22)31(16-18-5-9-20(34-3)10-6-18)28(33)25-26(23)30-32(27(25)29)19-7-11-21(35-4)12-8-19/h5-15,17H,16,29H2,1-4H3
InChIKeyZGVKTACOVQQORY-UHFFFAOYSA-N
XLogP4.78
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one (CID 23153879) is 3-amino-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one is COc1ccc(Cn2c(=O)c3c(N)n(-c4ccc(OC)cc4)nc3c3ccc(OC(C)C)cc32)cc1.
What is the InChIKey of 3-amino-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one?
The InChIKey is ZGVKTACOVQQORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-17(2)36-22-13-14-23-24(15-22)31(16-18-5-9-20(34-3)10-6-18)28(33)25-26(23)30-32(27(25)29)19-7-11-21(35-4)12-8-19/h5-15,17H,16,29H2,1-4H3.
What are the key properties of 3-amino-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one has a molecular weight of 484.56 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 23153879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).