N-butyl-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide

C24H26N4O2 — CID 56595034

IUPACN-butyl-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
SMILESCCCCN(C)C(=O)Cn1c2nn(-c3ccccc3)c(=O)c-2c(C)c2ccccc21
InChIInChI=1S/C24H26N4O2/c1-4-5-15-26(3)21(29)16-27-20-14-10-9-13-19(20)17(2)22-23(27)25-28(24(22)30)18-11-7-6-8-12-18/h6-14H,4-5,15-16H2,1-3H3
InChIKeyBPNVFLUGVLDDOP-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.86
Rot. Bonds6

About N-butyl-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide

N-butyl-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide (PubChem CID 56595034) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
PubChem CID56595034
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-butyl-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
SMILESCCCCN(C)C(=O)Cn1c2nn(-c3ccccc3)c(=O)c-2c(C)c2ccccc21
InChIInChI=1S/C24H26N4O2/c1-4-5-15-26(3)21(29)16-27-20-14-10-9-13-19(20)17(2)22-23(27)25-28(24(22)30)18-11-7-6-8-12-18/h6-14H,4-5,15-16H2,1-3H3
InChIKeyBPNVFLUGVLDDOP-UHFFFAOYSA-N
XLogP3.86
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butyl-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide 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 N-butyl-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide?
The IUPAC name of N-butyl-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide (CID 56595034) is N-butyl-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide.
What is the SMILES notation for N-butyl-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide?
The canonical SMILES for N-butyl-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide is CCCCN(C)C(=O)Cn1c2nn(-c3ccccc3)c(=O)c-2c(C)c2ccccc21.
What is the InChIKey of N-butyl-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide?
The InChIKey is BPNVFLUGVLDDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-4-5-15-26(3)21(29)16-27-20-14-10-9-13-19(20)17(2)22-23(27)25-28(24(22)30)18-11-7-6-8-12-18/h6-14H,4-5,15-16H2,1-3H3.
What are the key properties of N-butyl-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide?
N-butyl-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide has a molecular weight of 402.50 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide is sourced from PubChem (CID 56595034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).