N-[4-[2-amino-3-(2-ethoxyphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C29H24F2N4O4S — CID 66801174

About N-[4-[2-amino-3-(2-ethoxyphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[4-[2-amino-3-(2-ethoxyphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 66801174) has the molecular formula C29H24F2N4O4S and a molecular weight of 562.60 g/mol. Its IUPAC name is N-[4-[2-amino-3-(2-ethoxyphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

• Compound Name: N-[4-[2-amino-3-(2-ethoxyphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
• PubChem CID: 66801174
• Molecular Formula: C29H24F2N4O4S
• Molecular Weight: 562.60 g/mol
• Exact Mass: 562.15
• IUPAC Name: N-[4-[2-amino-3-(2-ethoxyphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
• SMILES: CCOc1ccccc1-c1cc2cc(-c3ccnc(OC)c3NS(=O)(=O)c3ccc(F)cc3F)ccc2nc1N
• InChI: InChI=1S/C29H24F2N4O4S/c1-3-39-25-7-5-4-6-21(25)22-15-18-14-17(8-10-24(18)34-28(22)32)20-12-13-33-29(38-2)27(20)35-40(36,37)26-11-9-19(30)16-23(26)31/h4-16,35H,3H2,1-2H3,(H2,32,34)
• InChIKey: FLCHVZZYVQWPCH-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 116.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.60
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-amino-3-(2-ethoxyphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?

The IUPAC name of N-[4-[2-amino-3-(2-ethoxyphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 66801174) is N-[4-[2-amino-3-(2-ethoxyphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

What is the SMILES notation for N-[4-[2-amino-3-(2-ethoxyphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?

The canonical SMILES for N-[4-[2-amino-3-(2-ethoxyphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is CCOc1ccccc1-c1cc2cc(-c3ccnc(OC)c3NS(=O)(=O)c3ccc(F)cc3F)ccc2nc1N.

What is the InChIKey of N-[4-[2-amino-3-(2-ethoxyphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?

The InChIKey is FLCHVZZYVQWPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N4O4S/c1-3-39-25-7-5-4-6-21(25)22-15-18-14-17(8-10-24(18)34-28(22)32)20-12-13-33-29(38-2)27(20)35-40(36,37)26-11-9-19(30)16-23(26)31/h4-16,35H,3H2,1-2H3,(H2,32,34).

What are the key properties of N-[4-[2-amino-3-(2-ethoxyphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?

N-[4-[2-amino-3-(2-ethoxyphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 562.60 g/mol, XLogP of 6.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-amino-3-(2-ethoxyphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 66801174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).