N-[5-[2-amino-3-(4-ethylsulfonylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide

C32H27N5O5S2 — CID 66800596

About N-[5-[2-amino-3-(4-ethylsulfonylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide

N-[5-[2-amino-3-(4-ethylsulfonylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide (PubChem CID 66800596) has the molecular formula C32H27N5O5S2 and a molecular weight of 625.73 g/mol. Its IUPAC name is N-[5-[2-amino-3-(4-ethylsulfonylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide.

Molecular Properties

• Compound Name: N-[5-[2-amino-3-(4-ethylsulfonylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide
• PubChem CID: 66800596
• Molecular Formula: C32H27N5O5S2
• Molecular Weight: 625.73 g/mol
• Exact Mass: 625.15
• IUPAC Name: N-[5-[2-amino-3-(4-ethylsulfonylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide
• SMILES: CCS(=O)(=O)c1ccc(-c2cc3cc(-c4cnc(OC)c(NS(=O)(=O)c5cccc6cccnc56)c4)ccc3nc2N)cc1
• InChI: InChI=1S/C32H27N5O5S2/c1-3-43(38,39)25-12-9-20(10-13-25)26-17-23-16-22(11-14-27(23)36-31(26)33)24-18-28(32(42-2)35-19-24)37-44(40,41)29-8-4-6-21-7-5-15-34-30(21)29/h4-19,37H,3H2,1-2H3,(H2,33,36)
• InChIKey: VFMVSTVXVLSPDW-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 154.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.73
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-3-(4-ethylsulfonylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide?

The IUPAC name of N-[5-[2-amino-3-(4-ethylsulfonylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide (CID 66800596) is N-[5-[2-amino-3-(4-ethylsulfonylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide.

What is the SMILES notation for N-[5-[2-amino-3-(4-ethylsulfonylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide?

The canonical SMILES for N-[5-[2-amino-3-(4-ethylsulfonylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide is CCS(=O)(=O)c1ccc(-c2cc3cc(-c4cnc(OC)c(NS(=O)(=O)c5cccc6cccnc56)c4)ccc3nc2N)cc1.

What is the InChIKey of N-[5-[2-amino-3-(4-ethylsulfonylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide?

The InChIKey is VFMVSTVXVLSPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N5O5S2/c1-3-43(38,39)25-12-9-20(10-13-25)26-17-23-16-22(11-14-27(23)36-31(26)33)24-18-28(32(42-2)35-19-24)37-44(40,41)29-8-4-6-21-7-5-15-34-30(21)29/h4-19,37H,3H2,1-2H3,(H2,33,36).

What are the key properties of N-[5-[2-amino-3-(4-ethylsulfonylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide?

N-[5-[2-amino-3-(4-ethylsulfonylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide has a molecular weight of 625.73 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-amino-3-(4-ethylsulfonylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]quinoline-8-sulfonamide is sourced from PubChem (CID 66800596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).