ethyl 2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinoline-3-carboxylate

C24H20F2N4O5S — CID 66801165

IUPACethyl 2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c3)ccc2nc1N
InChIInChI=1S/C24H20F2N4O5S/c1-3-35-24(31)17-9-14-8-13(4-6-19(14)29-22(17)27)15-10-20(23(34-2)28-12-15)30-36(32,33)21-7-5-16(25)11-18(21)26/h4-12,30H,3H2,1-2H3,(H2,27,29)
InChIKeyIWFMKKMSEGFLSK-UHFFFAOYSA-N
MW514.51 g/mol
LogP4.14
Rot. Bonds7

About ethyl 2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinoline-3-carboxylate

ethyl 2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinoline-3-carboxylate (PubChem CID 66801165) has the molecular formula C24H20F2N4O5S and a molecular weight of 514.51 g/mol. Its IUPAC name is ethyl 2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinoline-3-carboxylate
PubChem CID66801165
Molecular FormulaC24H20F2N4O5S
Molecular Weight514.51 g/mol
Exact Mass514.11
IUPAC Nameethyl 2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c3)ccc2nc1N
InChIInChI=1S/C24H20F2N4O5S/c1-3-35-24(31)17-9-14-8-13(4-6-19(14)29-22(17)27)15-10-20(23(34-2)28-12-15)30-36(32,33)21-7-5-16(25)11-18(21)26/h4-12,30H,3H2,1-2H3,(H2,27,29)
InChIKeyIWFMKKMSEGFLSK-UHFFFAOYSA-N
XLogP4.14
TPSA133.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.51
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide
CID 57405485
N-[5-(2-amino-4-oxo-3-phenyl-quinazolin-6-yl)-2-methoxy-3-pyridyl]-2,4-difluoro-benzenesulfonamide
CID 57406164
10,12-Difluoro-5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,19,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22(30),23,25,27-tetradecaen-14-one
CID 71041954
N-[5-(2-amino-3-phenyl-6-quinolyl)-2-methoxy-3-pyridyl]-2,4-difluoro-benzenesulfonamide
CID 66800530
N-[5-[2-amino-3-(4-morpholinophenyl)-6-quinolyl]-2-methoxy-3-pyridyl]-2,4-difluoro-benzenesulfonamide
CID 66806967
10,12-Difluoro-5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,25-tetrazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22(30),23,25,27-tetradecaen-14-one
CID 71042023
20-Fluoro-5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,25-tetrazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22(30),23,25,27-tetradecaen-14-one
CID 71472134
31-Fluoro-5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,25-tetrazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22(30),23,25,27-tetradecaen-14-one
CID 71472135
2,4-difluoro-N-[2-methoxy-5-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 141520958
Methyl 3-[[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinazolin-4-yl]amino]benzoate
CID 145964323
Ethyl 6,8-dimethyl-4-({4-[(2-pyrimidinylamino)sulfonyl]phenyl}amino)-3-quinolinecarboxylate
CID 1191916
Ethyl 2-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]acetate
CID 145969411

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinoline-3-carboxylate?
The IUPAC name of ethyl 2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinoline-3-carboxylate (CID 66801165) is ethyl 2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinoline-3-carboxylate is CCOC(=O)c1cc2cc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c3)ccc2nc1N.
What is the InChIKey of ethyl 2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinoline-3-carboxylate?
The InChIKey is IWFMKKMSEGFLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O5S/c1-3-35-24(31)17-9-14-8-13(4-6-19(14)29-22(17)27)15-10-20(23(34-2)28-12-15)30-36(32,33)21-7-5-16(25)11-18(21)26/h4-12,30H,3H2,1-2H3,(H2,27,29).
What are the key properties of ethyl 2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinoline-3-carboxylate?
ethyl 2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinoline-3-carboxylate has a molecular weight of 514.51 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinoline-3-carboxylate is sourced from PubChem (CID 66801165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).