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

C25H21N5O5 — CID 23153935

IUPAC3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-nitropyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4cccc(OC)c4)nc3c3ccc([N+](=O)[O-])cc32)cc1
InChIInChI=1S/C25H21N5O5/c1-34-18-9-6-15(7-10-18)14-28-21-13-17(30(32)33)8-11-20(21)23-22(25(28)31)24(26)29(27-23)16-4-3-5-19(12-16)35-2/h3-13H,14,26H2,1-2H3
InChIKeyVSJZZWQSMQWXKK-UHFFFAOYSA-N
MW471.47 g/mol
LogP3.90
Rot. Bonds6

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

3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-nitropyrazolo[4,3-c]quinolin-4-one (PubChem CID 23153935) has the molecular formula C25H21N5O5 and a molecular weight of 471.47 g/mol. Its IUPAC name is 3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-nitropyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-nitropyrazolo[4,3-c]quinolin-4-one
PubChem CID23153935
Molecular FormulaC25H21N5O5
Molecular Weight471.47 g/mol
Exact Mass471.15
IUPAC Name3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-nitropyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4cccc(OC)c4)nc3c3ccc([N+](=O)[O-])cc32)cc1
InChIInChI=1S/C25H21N5O5/c1-34-18-9-6-15(7-10-18)14-28-21-13-17(30(32)33)8-11-20(21)23-22(25(28)31)24(26)29(27-23)16-4-3-5-19(12-16)35-2/h3-13H,14,26H2,1-2H3
InChIKeyVSJZZWQSMQWXKK-UHFFFAOYSA-N
XLogP3.90
TPSA127.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-nitropyrazolo[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-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-nitropyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-nitropyrazolo[4,3-c]quinolin-4-one (CID 23153935) is 3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-nitropyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-nitropyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-nitropyrazolo[4,3-c]quinolin-4-one is COc1ccc(Cn2c(=O)c3c(N)n(-c4cccc(OC)c4)nc3c3ccc([N+](=O)[O-])cc32)cc1.
What is the InChIKey of 3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-nitropyrazolo[4,3-c]quinolin-4-one?
The InChIKey is VSJZZWQSMQWXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O5/c1-34-18-9-6-15(7-10-18)14-28-21-13-17(30(32)33)8-11-20(21)23-22(25(28)31)24(26)29(27-23)16-4-3-5-19(12-16)35-2/h3-13H,14,26H2,1-2H3.
What are the key properties of 3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-nitropyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-nitropyrazolo[4,3-c]quinolin-4-one has a molecular weight of 471.47 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-7-nitropyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 23153935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).