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

C33H30N4O4 — CID 23153956

IUPAC3-amino-5-[(4-methoxyphenyl)methyl]-2-(4-phenoxyphenyl)-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4ccc(Oc5ccccc5)cc4)nc3c3ccc(OC(C)C)cc32)cc1
InChIInChI=1S/C33H30N4O4/c1-21(2)40-27-17-18-28-29(19-27)36(20-22-9-13-24(39-3)14-10-22)33(38)30-31(28)35-37(32(30)34)23-11-15-26(16-12-23)41-25-7-5-4-6-8-25/h4-19,21H,20,34H2,1-3H3
InChIKeyXWBVHHBPODZFMK-UHFFFAOYSA-N
MW546.63 g/mol
LogP6.56
Rot. Bonds8

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

3-amino-5-[(4-methoxyphenyl)methyl]-2-(4-phenoxyphenyl)-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one (PubChem CID 23153956) has the molecular formula C33H30N4O4 and a molecular weight of 546.63 g/mol. Its IUPAC name is 3-amino-5-[(4-methoxyphenyl)methyl]-2-(4-phenoxyphenyl)-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-5-[(4-methoxyphenyl)methyl]-2-(4-phenoxyphenyl)-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one
PubChem CID23153956
Molecular FormulaC33H30N4O4
Molecular Weight546.63 g/mol
Exact Mass546.23
IUPAC Name3-amino-5-[(4-methoxyphenyl)methyl]-2-(4-phenoxyphenyl)-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4ccc(Oc5ccccc5)cc4)nc3c3ccc(OC(C)C)cc32)cc1
InChIInChI=1S/C33H30N4O4/c1-21(2)40-27-17-18-28-29(19-27)36(20-22-9-13-24(39-3)14-10-22)33(38)30-31(28)35-37(32(30)34)23-11-15-26(16-12-23)41-25-7-5-4-6-8-25/h4-19,21H,20,34H2,1-3H3
InChIKeyXWBVHHBPODZFMK-UHFFFAOYSA-N
XLogP6.56
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.63
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(4-methoxyphenyl)methyl]-2-(4-phenoxyphenyl)-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-5-[(4-methoxyphenyl)methyl]-2-(4-phenoxyphenyl)-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one (CID 23153956) is 3-amino-5-[(4-methoxyphenyl)methyl]-2-(4-phenoxyphenyl)-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-5-[(4-methoxyphenyl)methyl]-2-(4-phenoxyphenyl)-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-5-[(4-methoxyphenyl)methyl]-2-(4-phenoxyphenyl)-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one is COc1ccc(Cn2c(=O)c3c(N)n(-c4ccc(Oc5ccccc5)cc4)nc3c3ccc(OC(C)C)cc32)cc1.
What is the InChIKey of 3-amino-5-[(4-methoxyphenyl)methyl]-2-(4-phenoxyphenyl)-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one?
The InChIKey is XWBVHHBPODZFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N4O4/c1-21(2)40-27-17-18-28-29(19-27)36(20-22-9-13-24(39-3)14-10-22)33(38)30-31(28)35-37(32(30)34)23-11-15-26(16-12-23)41-25-7-5-4-6-8-25/h4-19,21H,20,34H2,1-3H3.
What are the key properties of 3-amino-5-[(4-methoxyphenyl)methyl]-2-(4-phenoxyphenyl)-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one?
3-amino-5-[(4-methoxyphenyl)methyl]-2-(4-phenoxyphenyl)-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one has a molecular weight of 546.63 g/mol, XLogP of 6.56, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(4-methoxyphenyl)methyl]-2-(4-phenoxyphenyl)-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 23153956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).