N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-4-methyl-8-(oxan-4-yloxy)quinazolin-2-yl]acetamide

C23H27N5O6S — CID 135197694

About N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-4-methyl-8-(oxan-4-yloxy)quinazolin-2-yl]acetamide

N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-4-methyl-8-(oxan-4-yloxy)quinazolin-2-yl]acetamide (PubChem CID 135197694) has the molecular formula C23H27N5O6S and a molecular weight of 501.57 g/mol. Its IUPAC name is N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-4-methyl-8-(oxan-4-yloxy)quinazolin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-4-methyl-8-(oxan-4-yloxy)quinazolin-2-yl]acetamide
• PubChem CID: 135197694
• Molecular Formula: C23H27N5O6S
• Molecular Weight: 501.57 g/mol
• Exact Mass: 501.17
• IUPAC Name: N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-4-methyl-8-(oxan-4-yloxy)quinazolin-2-yl]acetamide
• SMILES: COc1ncc(-c2cc(OC3CCOCC3)c3nc(NC(C)=O)nc(C)c3c2)cc1NS(C)(=O)=O
• InChI: InChI=1S/C23H27N5O6S/c1-13-18-9-15(16-10-19(28-35(4,30)31)22(32-3)24-12-16)11-20(34-17-5-7-33-8-6-17)21(18)27-23(25-13)26-14(2)29/h9-12,17,28H,5-8H2,1-4H3,(H,25,26,27,29)
• InChIKey: RPKDUGMYXORHGJ-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 141.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.57
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-4-methyl-8-(oxan-4-yloxy)quinazolin-2-yl]acetamide?

The IUPAC name of N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-4-methyl-8-(oxan-4-yloxy)quinazolin-2-yl]acetamide (CID 135197694) is N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-4-methyl-8-(oxan-4-yloxy)quinazolin-2-yl]acetamide.

What is the SMILES notation for N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-4-methyl-8-(oxan-4-yloxy)quinazolin-2-yl]acetamide?

The canonical SMILES for N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-4-methyl-8-(oxan-4-yloxy)quinazolin-2-yl]acetamide is COc1ncc(-c2cc(OC3CCOCC3)c3nc(NC(C)=O)nc(C)c3c2)cc1NS(C)(=O)=O.

What is the InChIKey of N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-4-methyl-8-(oxan-4-yloxy)quinazolin-2-yl]acetamide?

The InChIKey is RPKDUGMYXORHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O6S/c1-13-18-9-15(16-10-19(28-35(4,30)31)22(32-3)24-12-16)11-20(34-17-5-7-33-8-6-17)21(18)27-23(25-13)26-14(2)29/h9-12,17,28H,5-8H2,1-4H3,(H,25,26,27,29).

What are the key properties of N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-4-methyl-8-(oxan-4-yloxy)quinazolin-2-yl]acetamide?

N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-4-methyl-8-(oxan-4-yloxy)quinazolin-2-yl]acetamide has a molecular weight of 501.57 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-4-methyl-8-(oxan-4-yloxy)quinazolin-2-yl]acetamide is sourced from PubChem (CID 135197694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).