5-(1-adamantyloxy)-4-amino-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-difluorocyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-dimethylcyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-(2,2-dimethyl-4-oxoheptoxy)-2-methylquinoline-3-carboxylic acid;4-amino-5-[2,2-dimethyl-3-oxo-3-(propylamino)propoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(4-hydroxycyclohexyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid

C144H175F2N15O28 — CID 158946199

IUPAC5-(1-adamantyloxy)-4-amino-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-difluorocyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-dimethylcyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-(2,2-dimethyl-4-oxoheptoxy)-2-methylquinoline-3-carboxylic acid;4-amino-5-[2,2-dimethyl-3-oxo-3-(propylamino)propoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(4-hydroxycyclohexyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid
SMILESCCCC(=O)CC(C)(C)COc1cccc2nc(C)c(C(=O)O)c(N)c12.CCCNC(=O)C(C)(C)COc1cccc2nc(C)c(C(=O)O)c(N)c12.COc1ccc(C(=O)CC(C)(C)COc2cccc3nc(C)c(C(=O)O)c(N)c23)cc1OC.Cc1nc2cccc(OC34CC5CC(CC(C5)C3)C4)c2c(N)c1C(=O)O.Cc1nc2cccc(OC3CCC(C)(C)CC3)c2c(N)c1C(=O)O.Cc1nc2cccc(OC3CCC(F)(F)CC3)c2c(N)c1C(=O)O.Cc1nc2cccc(OCC(C)(C)CC(=O)C3CCC(O)CC3)c2c(N)c1C(=O)O
InChIInChI=1S/C25H28N2O6.C23H30N2O5.C21H24N2O3.C20H26N2O4.C19H25N3O4.C19H24N2O3.C17H18F2N2O3/c1-14-21(24(29)30)23(26)22-16(27-14)7-6-8-19(22)33-13-25(2,3)12-17(28)15-9-10-18(31-4)20(11-15)32-5;1-13-19(22(28)29)21(24)20-16(25-13)5-4-6-18(20)30-12-23(2,3)11-17(27)14-7-9-15(26)10-8-14;1-11-17(20(24)25)19(22)18-15(23-11)3-2-4-16(18)26-21-8-12-5-13(9-21)7-14(6-12)10-21;1-5-7-13(23)10-20(3,4)11-26-15-9-6-8-14-17(15)18(21)16(19(24)25)12(2)22-14;1-5-9-21-18(25)19(3,4)10-26-13-8-6-7-12-15(13)16(20)14(17(23)24)11(2)22-12;1-11-15(18(22)23)17(20)16-13(21-11)5-4-6-14(16)24-12-7-9-19(2,3)10-8-12;1-9-13(16(22)23)15(20)14-11(21-9)3-2-4-12(14)24-10-5-7-17(18,19)8-6-10/h6-11H,12-13H2,1-5H3,(H2,26,27)(H,29,30);4-6,14-15,26H,7-12H2,1-3H3,(H2,24,25)(H,28,29);2-4,12-14H,5-10H2,1H3,(H2,22,23)(H,24,25);6,8-9H,5,7,10-11H2,1-4H3,(H2,21,22)(H,24,25);6-8H,5,9-10H2,1-4H3,(H2,20,22)(H,21,25)(H,23,24);4-6,12H,7-10H2,1-3H3,(H2,20,21)(H,22,23);2-4,10H,5-8H2,1H3,(H2,20,21)(H,22,23)
InChIKeyJKVUUOJVJHDHJQ-UHFFFAOYSA-N
MW2602.06 g/mol
LogP27.12
Rot. Bonds40

About 5-(1-adamantyloxy)-4-amino-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-difluorocyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-dimethylcyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-(2,2-dimethyl-4-oxoheptoxy)-2-methylquinoline-3-carboxylic acid;4-amino-5-[2,2-dimethyl-3-oxo-3-(propylamino)propoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(4-hydroxycyclohexyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid

5-(1-adamantyloxy)-4-amino-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-difluorocyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-dimethylcyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-(2,2-dimethyl-4-oxoheptoxy)-2-methylquinoline-3-carboxylic acid;4-amino-5-[2,2-dimethyl-3-oxo-3-(propylamino)propoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(4-hydroxycyclohexyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid (PubChem CID 158946199) has the molecular formula C144H175F2N15O28 and a molecular weight of 2602.06 g/mol. Its IUPAC name is 5-(1-adamantyloxy)-4-amino-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-difluorocyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-dimethylcyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-(2,2-dimethyl-4-oxoheptoxy)-2-methylquinoline-3-carboxylic acid;4-amino-5-[2,2-dimethyl-3-oxo-3-(propylamino)propoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(4-hydroxycyclohexyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-adamantyloxy)-4-amino-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-difluorocyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-dimethylcyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-(2,2-dimethyl-4-oxoheptoxy)-2-methylquinoline-3-carboxylic acid;4-amino-5-[2,2-dimethyl-3-oxo-3-(propylamino)propoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(4-hydroxycyclohexyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid
PubChem CID158946199
Molecular FormulaC144H175F2N15O28
Molecular Weight2602.06 g/mol
Exact Mass2600.27
IUPAC Name5-(1-adamantyloxy)-4-amino-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-difluorocyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-dimethylcyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-(2,2-dimethyl-4-oxoheptoxy)-2-methylquinoline-3-carboxylic acid;4-amino-5-[2,2-dimethyl-3-oxo-3-(propylamino)propoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(4-hydroxycyclohexyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid
SMILESCCCC(=O)CC(C)(C)COc1cccc2nc(C)c(C(=O)O)c(N)c12.CCCNC(=O)C(C)(C)COc1cccc2nc(C)c(C(=O)O)c(N)c12.COc1ccc(C(=O)CC(C)(C)COc2cccc3nc(C)c(C(=O)O)c(N)c23)cc1OC.Cc1nc2cccc(OC34CC5CC(CC(C5)C3)C4)c2c(N)c1C(=O)O.Cc1nc2cccc(OC3CCC(C)(C)CC3)c2c(N)c1C(=O)O.Cc1nc2cccc(OC3CCC(F)(F)CC3)c2c(N)c1C(=O)O.Cc1nc2cccc(OCC(C)(C)CC(=O)C3CCC(O)CC3)c2c(N)c1C(=O)O
InChIInChI=1S/C25H28N2O6.C23H30N2O5.C21H24N2O3.C20H26N2O4.C19H25N3O4.C19H24N2O3.C17H18F2N2O3/c1-14-21(24(29)30)23(26)22-16(27-14)7-6-8-19(22)33-13-25(2,3)12-17(28)15-9-10-18(31-4)20(11-15)32-5;1-13-19(22(28)29)21(24)20-16(25-13)5-4-6-18(20)30-12-23(2,3)11-17(27)14-7-9-15(26)10-8-14;1-11-17(20(24)25)19(22)18-15(23-11)3-2-4-16(18)26-21-8-12-5-13(9-21)7-14(6-12)10-21;1-5-7-13(23)10-20(3,4)11-26-15-9-6-8-14-17(15)18(21)16(19(24)25)12(2)22-14;1-5-9-21-18(25)19(3,4)10-26-13-8-6-7-12-15(13)16(20)14(17(23)24)11(2)22-12;1-11-15(18(22)23)17(20)16-13(21-11)5-4-6-14(16)24-12-7-9-19(2,3)10-8-12;1-9-13(16(22)23)15(20)14-11(21-9)3-2-4-12(14)24-10-5-7-17(18,19)8-6-10/h6-11H,12-13H2,1-5H3,(H2,26,27)(H,29,30);4-6,14-15,26H,7-12H2,1-3H3,(H2,24,25)(H,28,29);2-4,12-14H,5-10H2,1H3,(H2,22,23)(H,24,25);6,8-9H,5,7,10-11H2,1-4H3,(H2,21,22)(H,24,25);6-8H,5,9-10H2,1-4H3,(H2,20,22)(H,21,25)(H,23,24);4-6,12H,7-10H2,1-3H3,(H2,20,21)(H,22,23);2-4,10H,5-8H2,1H3,(H2,20,21)(H,22,23)
InChIKeyJKVUUOJVJHDHJQ-UHFFFAOYSA-N
XLogP27.12
TPSA717.08 Ų
H-Bond Donors16
H-Bond Acceptors35
Rotatable Bonds40
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002602.06
LogP ≤ 527.12
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1035

Analyze 5-(1-adamantyloxy)-4-amino-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-difluorocyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-dimethylcyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-(2,2-dimethyl-4-oxoheptoxy)-2-methylquinoline-3-carboxylic acid;4-amino-5-[2,2-dimethyl-3-oxo-3-(propylamino)propoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(4-hydroxycyclohexyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantyloxy)-4-amino-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-difluorocyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-dimethylcyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-(2,2-dimethyl-4-oxoheptoxy)-2-methylquinoline-3-carboxylic acid;4-amino-5-[2,2-dimethyl-3-oxo-3-(propylamino)propoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(4-hydroxycyclohexyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid?
The IUPAC name of 5-(1-adamantyloxy)-4-amino-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-difluorocyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-dimethylcyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-(2,2-dimethyl-4-oxoheptoxy)-2-methylquinoline-3-carboxylic acid;4-amino-5-[2,2-dimethyl-3-oxo-3-(propylamino)propoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(4-hydroxycyclohexyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid (CID 158946199) is 5-(1-adamantyloxy)-4-amino-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-difluorocyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-dimethylcyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-(2,2-dimethyl-4-oxoheptoxy)-2-methylquinoline-3-carboxylic acid;4-amino-5-[2,2-dimethyl-3-oxo-3-(propylamino)propoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(4-hydroxycyclohexyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 5-(1-adamantyloxy)-4-amino-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-difluorocyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-dimethylcyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-(2,2-dimethyl-4-oxoheptoxy)-2-methylquinoline-3-carboxylic acid;4-amino-5-[2,2-dimethyl-3-oxo-3-(propylamino)propoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(4-hydroxycyclohexyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid?
The canonical SMILES for 5-(1-adamantyloxy)-4-amino-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-difluorocyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-dimethylcyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-(2,2-dimethyl-4-oxoheptoxy)-2-methylquinoline-3-carboxylic acid;4-amino-5-[2,2-dimethyl-3-oxo-3-(propylamino)propoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(4-hydroxycyclohexyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid is CCCC(=O)CC(C)(C)COc1cccc2nc(C)c(C(=O)O)c(N)c12.CCCNC(=O)C(C)(C)COc1cccc2nc(C)c(C(=O)O)c(N)c12.COc1ccc(C(=O)CC(C)(C)COc2cccc3nc(C)c(C(=O)O)c(N)c23)cc1OC.Cc1nc2cccc(OC34CC5CC(CC(C5)C3)C4)c2c(N)c1C(=O)O.Cc1nc2cccc(OC3CCC(C)(C)CC3)c2c(N)c1C(=O)O.Cc1nc2cccc(OC3CCC(F)(F)CC3)c2c(N)c1C(=O)O.Cc1nc2cccc(OCC(C)(C)CC(=O)C3CCC(O)CC3)c2c(N)c1C(=O)O.
What is the InChIKey of 5-(1-adamantyloxy)-4-amino-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-difluorocyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-dimethylcyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-(2,2-dimethyl-4-oxoheptoxy)-2-methylquinoline-3-carboxylic acid;4-amino-5-[2,2-dimethyl-3-oxo-3-(propylamino)propoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(4-hydroxycyclohexyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid?
The InChIKey is JKVUUOJVJHDHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6.C23H30N2O5.C21H24N2O3.C20H26N2O4.C19H25N3O4.C19H24N2O3.C17H18F2N2O3/c1-14-21(24(29)30)23(26)22-16(27-14)7-6-8-19(22)33-13-25(2,3)12-17(28)15-9-10-18(31-4)20(11-15)32-5;1-13-19(22(28)29)21(24)20-16(25-13)5-4-6-18(20)30-12-23(2,3)11-17(27)14-7-9-15(26)10-8-14;1-11-17(20(24)25)19(22)18-15(23-11)3-2-4-16(18)26-21-8-12-5-13(9-21)7-14(6-12)10-21;1-5-7-13(23)10-20(3,4)11-26-15-9-6-8-14-17(15)18(21)16(19(24)25)12(2)22-14;1-5-9-21-18(25)19(3,4)10-26-13-8-6-7-12-15(13)16(20)14(17(23)24)11(2)22-12;1-11-15(18(22)23)17(20)16-13(21-11)5-4-6-14(16)24-12-7-9-19(2,3)10-8-12;1-9-13(16(22)23)15(20)14-11(21-9)3-2-4-12(14)24-10-5-7-17(18,19)8-6-10/h6-11H,12-13H2,1-5H3,(H2,26,27)(H,29,30);4-6,14-15,26H,7-12H2,1-3H3,(H2,24,25)(H,28,29);2-4,12-14H,5-10H2,1H3,(H2,22,23)(H,24,25);6,8-9H,5,7,10-11H2,1-4H3,(H2,21,22)(H,24,25);6-8H,5,9-10H2,1-4H3,(H2,20,22)(H,21,25)(H,23,24);4-6,12H,7-10H2,1-3H3,(H2,20,21)(H,22,23);2-4,10H,5-8H2,1H3,(H2,20,21)(H,22,23).
What are the key properties of 5-(1-adamantyloxy)-4-amino-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-difluorocyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-dimethylcyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-(2,2-dimethyl-4-oxoheptoxy)-2-methylquinoline-3-carboxylic acid;4-amino-5-[2,2-dimethyl-3-oxo-3-(propylamino)propoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(4-hydroxycyclohexyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid?
5-(1-adamantyloxy)-4-amino-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-difluorocyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-dimethylcyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-(2,2-dimethyl-4-oxoheptoxy)-2-methylquinoline-3-carboxylic acid;4-amino-5-[2,2-dimethyl-3-oxo-3-(propylamino)propoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(4-hydroxycyclohexyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid has a molecular weight of 2602.06 g/mol, XLogP of 27.12, 40 rotatable bonds, 16 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyloxy)-4-amino-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-difluorocyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(3,4-dimethoxyphenyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-(4,4-dimethylcyclohexyl)oxy-2-methylquinoline-3-carboxylic acid;4-amino-5-(2,2-dimethyl-4-oxoheptoxy)-2-methylquinoline-3-carboxylic acid;4-amino-5-[2,2-dimethyl-3-oxo-3-(propylamino)propoxy]-2-methylquinoline-3-carboxylic acid;4-amino-5-[4-(4-hydroxycyclohexyl)-2,2-dimethyl-4-oxobutoxy]-2-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 158946199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).