N-[5-[2-amino-3-(2-ethylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C29H24F2N4O3S — CID 66800685

IUPACN-[5-[2-amino-3-(2-ethylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCCc1ccccc1-c1cc2cc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c3)ccc2nc1N
InChIInChI=1S/C29H24F2N4O3S/c1-3-17-6-4-5-7-22(17)23-13-19-12-18(8-10-25(19)34-28(23)32)20-14-26(29(38-2)33-16-20)35-39(36,37)27-11-9-21(30)15-24(27)31/h4-16,35H,3H2,1-2H3,(H2,32,34)
InChIKeyXAFWQURZSLDILG-UHFFFAOYSA-N
MW546.60 g/mol
LogP6.20
Rot. Bonds7

About N-[5-[2-amino-3-(2-ethylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-[2-amino-3-(2-ethylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 66800685) has the molecular formula C29H24F2N4O3S and a molecular weight of 546.60 g/mol. Its IUPAC name is N-[5-[2-amino-3-(2-ethylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[2-amino-3-(2-ethylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID66800685
Molecular FormulaC29H24F2N4O3S
Molecular Weight546.60 g/mol
Exact Mass546.15
IUPAC NameN-[5-[2-amino-3-(2-ethylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCCc1ccccc1-c1cc2cc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c3)ccc2nc1N
InChIInChI=1S/C29H24F2N4O3S/c1-3-17-6-4-5-7-22(17)23-13-19-12-18(8-10-25(19)34-28(23)32)20-14-26(29(38-2)33-16-20)35-39(36,37)27-11-9-21(30)15-24(27)31/h4-16,35H,3H2,1-2H3,(H2,32,34)
InChIKeyXAFWQURZSLDILG-UHFFFAOYSA-N
XLogP6.20
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.60
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-3-(2-ethylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-[2-amino-3-(2-ethylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 66800685) is N-[5-[2-amino-3-(2-ethylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[2-amino-3-(2-ethylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-[2-amino-3-(2-ethylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is CCc1ccccc1-c1cc2cc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c3)ccc2nc1N.
What is the InChIKey of N-[5-[2-amino-3-(2-ethylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is XAFWQURZSLDILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N4O3S/c1-3-17-6-4-5-7-22(17)23-13-19-12-18(8-10-25(19)34-28(23)32)20-14-26(29(38-2)33-16-20)35-39(36,37)27-11-9-21(30)15-24(27)31/h4-16,35H,3H2,1-2H3,(H2,32,34).
What are the key properties of N-[5-[2-amino-3-(2-ethylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-[2-amino-3-(2-ethylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 546.60 g/mol, XLogP of 6.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-amino-3-(2-ethylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 66800685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).