1-methyl-8-(2-phenoxyanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C23H20N6O2 — CID 46887105

IUPAC1-methyl-8-(2-phenoxyanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3Oc3ccccc3)ncc1CC2
InChIInChI=1S/C23H20N6O2/c1-29-21-16(20(28-29)22(24)30)12-11-14-13-25-23(27-19(14)21)26-17-9-5-6-10-18(17)31-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H2,24,30)(H,25,26,27)
InChIKeyGYDZFEKAOMUPJL-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.61
Rot. Bonds5

About 1-methyl-8-(2-phenoxyanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

1-methyl-8-(2-phenoxyanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 46887105) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 1-methyl-8-(2-phenoxyanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name1-methyl-8-(2-phenoxyanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID46887105
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name1-methyl-8-(2-phenoxyanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3Oc3ccccc3)ncc1CC2
InChIInChI=1S/C23H20N6O2/c1-29-21-16(20(28-29)22(24)30)12-11-14-13-25-23(27-19(14)21)26-17-9-5-6-10-18(17)31-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H2,24,30)(H,25,26,27)
InChIKeyGYDZFEKAOMUPJL-UHFFFAOYSA-N
XLogP3.61
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-methyl-8-(2-phenoxyanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide 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 1-methyl-8-(2-phenoxyanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 1-methyl-8-(2-phenoxyanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 46887105) is 1-methyl-8-(2-phenoxyanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 1-methyl-8-(2-phenoxyanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 1-methyl-8-(2-phenoxyanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3Oc3ccccc3)ncc1CC2.
What is the InChIKey of 1-methyl-8-(2-phenoxyanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is GYDZFEKAOMUPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-29-21-16(20(28-29)22(24)30)12-11-14-13-25-23(27-19(14)21)26-17-9-5-6-10-18(17)31-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H2,24,30)(H,25,26,27).
What are the key properties of 1-methyl-8-(2-phenoxyanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
1-methyl-8-(2-phenoxyanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(2-phenoxyanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 46887105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).