N-(2,6-diethylphenyl)-8-[2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C35H42N8O3 — CID 44556163

About N-(2,6-diethylphenyl)-8-[2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

N-(2,6-diethylphenyl)-8-[2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 44556163) has the molecular formula C35H42N8O3 and a molecular weight of 622.77 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-8-[2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

• Compound Name: N-(2,6-diethylphenyl)-8-[2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
• PubChem CID: 44556163
• Molecular Formula: C35H42N8O3
• Molecular Weight: 622.77 g/mol
• Exact Mass: 622.34
• IUPAC Name: N-(2,6-diethylphenyl)-8-[2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
• SMILES: CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc1-2
• InChI: InChI=1S/C35H42N8O3/c1-6-21-9-8-10-22(7-2)29(21)39-34(45)31-26-13-11-24-20-36-35(40-30(24)32(26)43(4)41-31)38-27-14-12-23(19-28(27)46-5)33(44)37-25-15-17-42(3)18-16-25/h8-10,12,14,19-20,25H,6-7,11,13,15-18H2,1-5H3,(H,37,44)(H,39,45)(H,36,38,40)
• InChIKey: WGZYFFJOGZFXBF-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 126.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	622.77
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-8-[2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?

The IUPAC name of N-(2,6-diethylphenyl)-8-[2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 44556163) is N-(2,6-diethylphenyl)-8-[2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

What is the SMILES notation for N-(2,6-diethylphenyl)-8-[2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?

The canonical SMILES for N-(2,6-diethylphenyl)-8-[2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc1-2.

What is the InChIKey of N-(2,6-diethylphenyl)-8-[2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?

The InChIKey is WGZYFFJOGZFXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N8O3/c1-6-21-9-8-10-22(7-2)29(21)39-34(45)31-26-13-11-24-20-36-35(40-30(24)32(26)43(4)41-31)38-27-14-12-23(19-28(27)46-5)33(44)37-25-15-17-42(3)18-16-25/h8-10,12,14,19-20,25H,6-7,11,13,15-18H2,1-5H3,(H,37,44)(H,39,45)(H,36,38,40).

What are the key properties of N-(2,6-diethylphenyl)-8-[2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?

N-(2,6-diethylphenyl)-8-[2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 622.77 g/mol, XLogP of 4.93, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-diethylphenyl)-8-[2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 44556163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).