4-amino-3-hydroxybenzoic acid;4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxy-4-methylquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;8-methoxy-4-methylquinoline-6-carboxylic acid;methyl 8-methoxy-4-methylquinoline-6-carboxylate

C110H105Cl3FN9O21 — CID 159947426

About 4-amino-3-hydroxybenzoic acid;4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxy-4-methylquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;8-methoxy-4-methylquinoline-6-carboxylic acid;methyl 8-methoxy-4-methylquinoline-6-carboxylate

4-amino-3-hydroxybenzoic acid;4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxy-4-methylquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;8-methoxy-4-methylquinoline-6-carboxylic acid;methyl 8-methoxy-4-methylquinoline-6-carboxylate (PubChem CID 159947426) has the molecular formula C110H105Cl3FN9O21 and a molecular weight of 2014.45 g/mol. Its IUPAC name is 4-amino-3-hydroxybenzoic acid;4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxy-4-methylquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;8-methoxy-4-methylquinoline-6-carboxylic acid;methyl 8-methoxy-4-methylquinoline-6-carboxylate.

Molecular Properties

• Compound Name: 4-amino-3-hydroxybenzoic acid;4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxy-4-methylquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;8-methoxy-4-methylquinoline-6-carboxylic acid;methyl 8-methoxy-4-methylquinoline-6-carboxylate
• PubChem CID: 159947426
• Molecular Formula: C110H105Cl3FN9O21
• Molecular Weight: 2014.45 g/mol
• Exact Mass: 2011.65
• IUPAC Name: 4-amino-3-hydroxybenzoic acid;4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxy-4-methylquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;8-methoxy-4-methylquinoline-6-carboxylic acid;methyl 8-methoxy-4-methylquinoline-6-carboxylate
• SMILES: COC(=O)c1cc(OC)c2nccc(C)c2c1.COc1cc(C(=O)CCC(=O)c2cc3c(c(-c4ccc(F)c(Cl)c4)n2)OCC3(C)C)cc2c(C)ccnc12.COc1cc(C(=O)CCC(=O)c2cc3c(c(Cl)n2)OCC3(C)C)cc2c(C)ccnc12.COc1cc(C(=O)CCC(O)c2cc3c(c(Cl)n2)OCC3(C)C)cc2c(C)ccnc12.COc1cc(C(=O)O)cc2c(C)ccnc12.Nc1ccc(C(=O)O)cc1O
• InChI: InChI=1S/C30H26ClFN2O4.C24H25ClN2O4.C24H23ClN2O4.C13H13NO3.C12H11NO3.C7H7NO3/c1-16-9-10-33-28-19(16)11-18(13-26(28)37-4)24(35)7-8-25(36)23-14-20-29(38-15-30(20,2)3)27(34-23)17-5-6-22(32)21(31)12-17;2*1-13-7-8-26-21-15(13)9-14(10-20(21)30-4)18(28)5-6-19(29)17-11-16-22(23(25)27-17)31-12-24(16,2)3;1-8-4-5-14-12-10(8)6-9(13(15)17-3)7-11(12)16-2;1-7-3-4-13-11-9(7)5-8(12(14)15)6-10(11)16-2;8-5-2-1-4(7(10)11)3-6(5)9/h5-6,9-14H,7-8,15H2,1-4H3;7-11,19,29H,5-6,12H2,1-4H3;7-11H,5-6,12H2,1-4H3;4-7H,1-3H3;3-6H,1-2H3,(H,14,15);1-3,9H,8H2,(H,10,11)
• InChIKey: OBQYRLKZVKBQRK-UHFFFAOYSA-N
• XLogP: 22.27
• TPSA: 429.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2014.45
LogP ≤ 5	22.27
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxybenzoic acid;4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxy-4-methylquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;8-methoxy-4-methylquinoline-6-carboxylic acid;methyl 8-methoxy-4-methylquinoline-6-carboxylate?

The IUPAC name of 4-amino-3-hydroxybenzoic acid;4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxy-4-methylquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;8-methoxy-4-methylquinoline-6-carboxylic acid;methyl 8-methoxy-4-methylquinoline-6-carboxylate (CID 159947426) is 4-amino-3-hydroxybenzoic acid;4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxy-4-methylquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;8-methoxy-4-methylquinoline-6-carboxylic acid;methyl 8-methoxy-4-methylquinoline-6-carboxylate.

What is the SMILES notation for 4-amino-3-hydroxybenzoic acid;4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxy-4-methylquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;8-methoxy-4-methylquinoline-6-carboxylic acid;methyl 8-methoxy-4-methylquinoline-6-carboxylate?

The canonical SMILES for 4-amino-3-hydroxybenzoic acid;4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxy-4-methylquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;8-methoxy-4-methylquinoline-6-carboxylic acid;methyl 8-methoxy-4-methylquinoline-6-carboxylate is COC(=O)c1cc(OC)c2nccc(C)c2c1.COc1cc(C(=O)CCC(=O)c2cc3c(c(-c4ccc(F)c(Cl)c4)n2)OCC3(C)C)cc2c(C)ccnc12.COc1cc(C(=O)CCC(=O)c2cc3c(c(Cl)n2)OCC3(C)C)cc2c(C)ccnc12.COc1cc(C(=O)CCC(O)c2cc3c(c(Cl)n2)OCC3(C)C)cc2c(C)ccnc12.COc1cc(C(=O)O)cc2c(C)ccnc12.Nc1ccc(C(=O)O)cc1O.

What is the InChIKey of 4-amino-3-hydroxybenzoic acid;4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxy-4-methylquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;8-methoxy-4-methylquinoline-6-carboxylic acid;methyl 8-methoxy-4-methylquinoline-6-carboxylate?

The InChIKey is OBQYRLKZVKBQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClFN2O4.C24H25ClN2O4.C24H23ClN2O4.C13H13NO3.C12H11NO3.C7H7NO3/c1-16-9-10-33-28-19(16)11-18(13-26(28)37-4)24(35)7-8-25(36)23-14-20-29(38-15-30(20,2)3)27(34-23)17-5-6-22(32)21(31)12-17;2*1-13-7-8-26-21-15(13)9-14(10-20(21)30-4)18(28)5-6-19(29)17-11-16-22(23(25)27-17)31-12-24(16,2)3;1-8-4-5-14-12-10(8)6-9(13(15)17-3)7-11(12)16-2;1-7-3-4-13-11-9(7)5-8(12(14)15)6-10(11)16-2;8-5-2-1-4(7(10)11)3-6(5)9/h5-6,9-14H,7-8,15H2,1-4H3;7-11,19,29H,5-6,12H2,1-4H3;7-11H,5-6,12H2,1-4H3;4-7H,1-3H3;3-6H,1-2H3,(H,14,15);1-3,9H,8H2,(H,10,11).

What are the key properties of 4-amino-3-hydroxybenzoic acid;4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxy-4-methylquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;8-methoxy-4-methylquinoline-6-carboxylic acid;methyl 8-methoxy-4-methylquinoline-6-carboxylate?

4-amino-3-hydroxybenzoic acid;4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxy-4-methylquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;8-methoxy-4-methylquinoline-6-carboxylic acid;methyl 8-methoxy-4-methylquinoline-6-carboxylate has a molecular weight of 2014.45 g/mol, XLogP of 22.27, 24 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-hydroxybenzoic acid;4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxy-4-methylquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;8-methoxy-4-methylquinoline-6-carboxylic acid;methyl 8-methoxy-4-methylquinoline-6-carboxylate is sourced from PubChem (CID 159947426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).