6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(4-methoxy-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid;methyl 4-amino-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxybenzoate;methyl 4-amino-3-iodo-5-methoxybenzoate;methyl 8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

C110H121F2IN8O27S — CID 162049435

About 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(4-methoxy-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid;methyl 4-amino-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxybenzoate;methyl 4-amino-3-iodo-5-methoxybenzoate;methyl 8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(4-methoxy-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid;methyl 4-amino-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxybenzoate;methyl 4-amino-3-iodo-5-methoxybenzoate;methyl 8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (PubChem CID 162049435) has the molecular formula C110H121F2IN8O27S and a molecular weight of 2184.17 g/mol. Its IUPAC name is 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(4-methoxy-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid;methyl 4-amino-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxybenzoate;methyl 4-amino-3-iodo-5-methoxybenzoate;methyl 8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.

Molecular Properties

• Compound Name: 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(4-methoxy-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid;methyl 4-amino-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxybenzoate;methyl 4-amino-3-iodo-5-methoxybenzoate;methyl 8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
• PubChem CID: 162049435
• Molecular Formula: C110H121F2IN8O27S
• Molecular Weight: 2184.17 g/mol
• Exact Mass: 2182.71
• IUPAC Name: 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(4-methoxy-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid;methyl 4-amino-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxybenzoate;methyl 4-amino-3-iodo-5-methoxybenzoate;methyl 8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
• SMILES: CCOC(=O)/C=C/c1cc(C(=O)OC)cc(OC)c1N.COC(=O)c1cc(I)c(N)c(OC)c1.COC(=O)c1cc2c(c(OC)c1)NC(=O)CC2.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)N)cc2c1CC(=O)CC2.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)NS(=O)C(C)(C)C)cc2c1CC(=O)CC2.COc1cc(C(=O)O)cc2c1NC(=O)CC2
• InChI: InChI=1S/C34H39FN2O6S.C30H31FN2O5.C14H17NO5.C12H13NO4.C11H11NO4.C9H10INO3/c1-32(2,3)44(41)37-33(4)19-43-31-26(33)18-29(36-30(31)20-7-10-23(35)11-8-20)34(5,40)14-13-27(39)22-15-21-9-12-24(38)17-25(21)28(16-22)42-6;1-29(32)16-38-28-23(29)15-26(33-27(28)17-4-7-20(31)8-5-17)30(2,36)11-10-24(35)19-12-18-6-9-21(34)14-22(18)25(13-19)37-3;1-4-20-12(16)6-5-9-7-10(14(17)19-3)8-11(18-2)13(9)15;1-16-9-6-8(12(15)17-2)5-7-3-4-10(14)13-11(7)9;1-16-8-5-7(11(14)15)4-6-2-3-9(13)12-10(6)8;1-13-7-4-5(9(12)14-2)3-6(10)8(7)11/h7-8,10-11,15-16,18,37,40H,9,12-14,17,19H2,1-6H3;4-5,7-8,12-13,15,36H,6,9-11,14,16,32H2,1-3H3;5-8H,4,15H2,1-3H3;5-6H,3-4H2,1-2H3,(H,13,14);4-5H,2-3H2,1H3,(H,12,13)(H,14,15);3-4H,11H2,1-2H3/b;;6-5+
• InChIKey: YYIUGYCVLUMYSS-XRLKNDMWSA-N
• XLogP: 15.83
• TPSA: 516.22 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2184.17
LogP ≤ 5	15.83
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(4-methoxy-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid;methyl 4-amino-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxybenzoate;methyl 4-amino-3-iodo-5-methoxybenzoate;methyl 8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?

The IUPAC name of 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(4-methoxy-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid;methyl 4-amino-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxybenzoate;methyl 4-amino-3-iodo-5-methoxybenzoate;methyl 8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (CID 162049435) is 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(4-methoxy-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid;methyl 4-amino-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxybenzoate;methyl 4-amino-3-iodo-5-methoxybenzoate;methyl 8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.

What is the SMILES notation for 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(4-methoxy-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid;methyl 4-amino-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxybenzoate;methyl 4-amino-3-iodo-5-methoxybenzoate;methyl 8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?

The canonical SMILES for 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(4-methoxy-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid;methyl 4-amino-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxybenzoate;methyl 4-amino-3-iodo-5-methoxybenzoate;methyl 8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is CCOC(=O)/C=C/c1cc(C(=O)OC)cc(OC)c1N.COC(=O)c1cc(I)c(N)c(OC)c1.COC(=O)c1cc2c(c(OC)c1)NC(=O)CC2.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)N)cc2c1CC(=O)CC2.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)NS(=O)C(C)(C)C)cc2c1CC(=O)CC2.COc1cc(C(=O)O)cc2c1NC(=O)CC2.

What is the InChIKey of 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(4-methoxy-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid;methyl 4-amino-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxybenzoate;methyl 4-amino-3-iodo-5-methoxybenzoate;methyl 8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?

The InChIKey is YYIUGYCVLUMYSS-XRLKNDMWSA-N. The full InChI is InChI=1S/C34H39FN2O6S.C30H31FN2O5.C14H17NO5.C12H13NO4.C11H11NO4.C9H10INO3/c1-32(2,3)44(41)37-33(4)19-43-31-26(33)18-29(36-30(31)20-7-10-23(35)11-8-20)34(5,40)14-13-27(39)22-15-21-9-12-24(38)17-25(21)28(16-22)42-6;1-29(32)16-38-28-23(29)15-26(33-27(28)17-4-7-20(31)8-5-17)30(2,36)11-10-24(35)19-12-18-6-9-21(34)14-22(18)25(13-19)37-3;1-4-20-12(16)6-5-9-7-10(14(17)19-3)8-11(18-2)13(9)15;1-16-9-6-8(12(15)17-2)5-7-3-4-10(14)13-11(7)9;1-16-8-5-7(11(14)15)4-6-2-3-9(13)12-10(6)8;1-13-7-4-5(9(12)14-2)3-6(10)8(7)11/h7-8,10-11,15-16,18,37,40H,9,12-14,17,19H2,1-6H3;4-5,7-8,12-13,15,36H,6,9-11,14,16,32H2,1-3H3;5-8H,4,15H2,1-3H3;5-6H,3-4H2,1-2H3,(H,13,14);4-5H,2-3H2,1H3,(H,12,13)(H,14,15);3-4H,11H2,1-2H3/b;;6-5+;;;.

What are the key properties of 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(4-methoxy-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid;methyl 4-amino-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxybenzoate;methyl 4-amino-3-iodo-5-methoxybenzoate;methyl 8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?

6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(4-methoxy-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid;methyl 4-amino-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxybenzoate;methyl 4-amino-3-iodo-5-methoxybenzoate;methyl 8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate has a molecular weight of 2184.17 g/mol, XLogP of 15.83, 27 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(4-methoxy-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid;methyl 4-amino-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxybenzoate;methyl 4-amino-3-iodo-5-methoxybenzoate;methyl 8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is sourced from PubChem (CID 162049435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).