4-(2-hydroxyethyl)-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide

C35H39N7O3 — CID 143748856

About 4-(2-hydroxyethyl)-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide

4-(2-hydroxyethyl)-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide (PubChem CID 143748856) has the molecular formula C35H39N7O3 and a molecular weight of 605.74 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 4-(2-hydroxyethyl)-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
• PubChem CID: 143748856
• Molecular Formula: C35H39N7O3
• Molecular Weight: 605.74 g/mol
• Exact Mass: 605.31
• IUPAC Name: 4-(2-hydroxyethyl)-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
• SMILES: Cc1ccc(Oc2ccc(Nc3ncnc4ccc(-n5cc(CCO)c(C(=O)NCCN6CCCCC6)c5)cc34)cc2C)cn1
• InChI: InChI=1S/C35H39N7O3/c1-24-18-27(7-11-33(24)45-29-9-6-25(2)37-20-29)40-34-30-19-28(8-10-32(30)38-23-39-34)42-21-26(12-17-43)31(22-42)35(44)36-13-16-41-14-4-3-5-15-41/h6-11,18-23,43H,3-5,12-17H2,1-2H3,(H,36,44)(H,38,39,40)
• InChIKey: OZBSAPANINNLHX-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 117.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.74
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide?

The IUPAC name of 4-(2-hydroxyethyl)-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide (CID 143748856) is 4-(2-hydroxyethyl)-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide.

What is the SMILES notation for 4-(2-hydroxyethyl)-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide?

The canonical SMILES for 4-(2-hydroxyethyl)-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide is Cc1ccc(Oc2ccc(Nc3ncnc4ccc(-n5cc(CCO)c(C(=O)NCCN6CCCCC6)c5)cc34)cc2C)cn1.

What is the InChIKey of 4-(2-hydroxyethyl)-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide?

The InChIKey is OZBSAPANINNLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N7O3/c1-24-18-27(7-11-33(24)45-29-9-6-25(2)37-20-29)40-34-30-19-28(8-10-32(30)38-23-39-34)42-21-26(12-17-43)31(22-42)35(44)36-13-16-41-14-4-3-5-15-41/h6-11,18-23,43H,3-5,12-17H2,1-2H3,(H,36,44)(H,38,39,40).

What are the key properties of 4-(2-hydroxyethyl)-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide?

4-(2-hydroxyethyl)-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide has a molecular weight of 605.74 g/mol, XLogP of 5.72, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-hydroxyethyl)-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 143748856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).