7-[2-(3-carboxyphenyl)ethoxy]-1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;1-(2,4-dimethylphenyl)-7-[2-(3-hydroxyphenyl)ethoxy]-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;3-[2-[[1-(2,4-dimethylphenyl)-6-methoxy-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethyl]benzoic acid;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid

C160H161N13O28 — CID 157444360

IUPAC7-[2-(3-carboxyphenyl)ethoxy]-1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;1-(2,4-dimethylphenyl)-7-[2-(3-hydroxyphenyl)ethoxy]-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;3-[2-[[1-(2,4-dimethylphenyl)-6-methoxy-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethyl]benzoic acid;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
SMILESCOc1cc2c(cc1OCCc1cccc(C(=O)O)c1)C(c1ccc(C)cc1C)N(C(=O)CCc1cocn1)CC2.Cc1ccc(C2c3cc(OCCc4cccc(C(=O)O)c4)c(C(=O)O)cc3CCN2C(=O)CCc2cocn2)c(C)c1.Cc1ccc(C2c3cc(OCCc4cccc(O)c4)c(C(=O)O)cc3CCN2C(=O)CCc2cocn2)c(C)c1.Cc1ccc(C2c3cc(OCCc4cccnc4)c(C(=O)O)cc3CCN2C(=O)CCc2cocn2)c(C)c1.Cc1ccc(C2c3cc(OCCc4cccnc4)c(C(N)=O)cc3CCN2C(=O)CCc2cocn2)c(C)c1
InChIInChI=1S/C33H32N2O7.C33H34N2O6.C32H32N2O6.C31H32N4O4.C31H31N3O5/c1-20-6-8-26(21(2)14-20)31-27-17-29(42-13-11-22-4-3-5-24(15-22)32(37)38)28(33(39)40)16-23(27)10-12-35(31)30(36)9-7-25-18-41-19-34-25;1-21-7-9-27(22(2)15-21)32-28-18-30(41-14-12-23-5-4-6-25(16-23)33(37)38)29(39-3)17-24(28)11-13-35(32)31(36)10-8-26-19-40-20-34-26;1-20-6-8-26(21(2)14-20)31-27-17-29(40-13-11-22-4-3-5-25(35)15-22)28(32(37)38)16-23(27)10-12-34(31)30(36)9-7-24-18-39-19-33-24;1-20-5-7-25(21(2)14-20)30-26-16-28(39-13-10-22-4-3-11-33-17-22)27(31(32)37)15-23(26)9-12-35(30)29(36)8-6-24-18-38-19-34-24;1-20-5-7-25(21(2)14-20)30-26-16-28(39-13-10-22-4-3-11-32-17-22)27(31(36)37)15-23(26)9-12-34(30)29(35)8-6-24-18-38-19-33-24/h3-6,8,14-19,31H,7,9-13H2,1-2H3,(H,37,38)(H,39,40);4-7,9,15-20,32H,8,10-14H2,1-3H3,(H,37,38);3-6,8,14-19,31,35H,7,9-13H2,1-2H3,(H,37,38);3-5,7,11,14-19,30H,6,8-10,12-13H2,1-2H3,(H2,32,37);3-5,7,11,14-19,30H,6,8-10,12-13H2,1-2H3,(H,36,37)
InChIKeyBSAUHZXALSVDHE-UHFFFAOYSA-N
MW2714.11 g/mol
LogP26.19
Rot. Bonds47

About 7-[2-(3-carboxyphenyl)ethoxy]-1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;1-(2,4-dimethylphenyl)-7-[2-(3-hydroxyphenyl)ethoxy]-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;3-[2-[[1-(2,4-dimethylphenyl)-6-methoxy-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethyl]benzoic acid;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid

7-[2-(3-carboxyphenyl)ethoxy]-1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;1-(2,4-dimethylphenyl)-7-[2-(3-hydroxyphenyl)ethoxy]-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;3-[2-[[1-(2,4-dimethylphenyl)-6-methoxy-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethyl]benzoic acid;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid (PubChem CID 157444360) has the molecular formula C160H161N13O28 and a molecular weight of 2714.11 g/mol. Its IUPAC name is 7-[2-(3-carboxyphenyl)ethoxy]-1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;1-(2,4-dimethylphenyl)-7-[2-(3-hydroxyphenyl)ethoxy]-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;3-[2-[[1-(2,4-dimethylphenyl)-6-methoxy-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethyl]benzoic acid;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name7-[2-(3-carboxyphenyl)ethoxy]-1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;1-(2,4-dimethylphenyl)-7-[2-(3-hydroxyphenyl)ethoxy]-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;3-[2-[[1-(2,4-dimethylphenyl)-6-methoxy-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethyl]benzoic acid;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
PubChem CID157444360
Molecular FormulaC160H161N13O28
Molecular Weight2714.11 g/mol
Exact Mass2712.16
IUPAC Name7-[2-(3-carboxyphenyl)ethoxy]-1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;1-(2,4-dimethylphenyl)-7-[2-(3-hydroxyphenyl)ethoxy]-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;3-[2-[[1-(2,4-dimethylphenyl)-6-methoxy-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethyl]benzoic acid;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
SMILESCOc1cc2c(cc1OCCc1cccc(C(=O)O)c1)C(c1ccc(C)cc1C)N(C(=O)CCc1cocn1)CC2.Cc1ccc(C2c3cc(OCCc4cccc(C(=O)O)c4)c(C(=O)O)cc3CCN2C(=O)CCc2cocn2)c(C)c1.Cc1ccc(C2c3cc(OCCc4cccc(O)c4)c(C(=O)O)cc3CCN2C(=O)CCc2cocn2)c(C)c1.Cc1ccc(C2c3cc(OCCc4cccnc4)c(C(=O)O)cc3CCN2C(=O)CCc2cocn2)c(C)c1.Cc1ccc(C2c3cc(OCCc4cccnc4)c(C(N)=O)cc3CCN2C(=O)CCc2cocn2)c(C)c1
InChIInChI=1S/C33H32N2O7.C33H34N2O6.C32H32N2O6.C31H32N4O4.C31H31N3O5/c1-20-6-8-26(21(2)14-20)31-27-17-29(42-13-11-22-4-3-5-24(15-22)32(37)38)28(33(39)40)16-23(27)10-12-35(31)30(36)9-7-25-18-41-19-34-25;1-21-7-9-27(22(2)15-21)32-28-18-30(41-14-12-23-5-4-6-25(16-23)33(37)38)29(39-3)17-24(28)11-13-35(32)31(36)10-8-26-19-40-20-34-26;1-20-6-8-26(21(2)14-20)31-27-17-29(40-13-11-22-4-3-5-25(35)15-22)28(32(37)38)16-23(27)10-12-34(31)30(36)9-7-24-18-39-19-33-24;1-20-5-7-25(21(2)14-20)30-26-16-28(39-13-10-22-4-3-11-33-17-22)27(31(32)37)15-23(26)9-12-35(30)29(36)8-6-24-18-38-19-34-24;1-20-5-7-25(21(2)14-20)30-26-16-28(39-13-10-22-4-3-11-32-17-22)27(31(36)37)15-23(26)9-12-34(30)29(35)8-6-24-18-38-19-33-24/h3-6,8,14-19,31H,7,9-13H2,1-2H3,(H,37,38)(H,39,40);4-7,9,15-20,32H,8,10-14H2,1-3H3,(H,37,38);3-6,8,14-19,31,35H,7,9-13H2,1-2H3,(H,37,38);3-5,7,11,14-19,30H,6,8-10,12-13H2,1-2H3,(H2,32,37);3-5,7,11,14-19,30H,6,8-10,12-13H2,1-2H3,(H,36,37)
InChIKeyBSAUHZXALSVDHE-UHFFFAOYSA-N
XLogP26.19
TPSA562.68 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds47
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002714.11
LogP ≤ 526.19
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Analyze 7-[2-(3-carboxyphenyl)ethoxy]-1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;1-(2,4-dimethylphenyl)-7-[2-(3-hydroxyphenyl)ethoxy]-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;3-[2-[[1-(2,4-dimethylphenyl)-6-methoxy-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethyl]benzoic acid;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-carboxyphenyl)ethoxy]-1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;1-(2,4-dimethylphenyl)-7-[2-(3-hydroxyphenyl)ethoxy]-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;3-[2-[[1-(2,4-dimethylphenyl)-6-methoxy-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethyl]benzoic acid;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid?
The IUPAC name of 7-[2-(3-carboxyphenyl)ethoxy]-1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;1-(2,4-dimethylphenyl)-7-[2-(3-hydroxyphenyl)ethoxy]-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;3-[2-[[1-(2,4-dimethylphenyl)-6-methoxy-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethyl]benzoic acid;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid (CID 157444360) is 7-[2-(3-carboxyphenyl)ethoxy]-1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;1-(2,4-dimethylphenyl)-7-[2-(3-hydroxyphenyl)ethoxy]-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;3-[2-[[1-(2,4-dimethylphenyl)-6-methoxy-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethyl]benzoic acid;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid.
What is the SMILES notation for 7-[2-(3-carboxyphenyl)ethoxy]-1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;1-(2,4-dimethylphenyl)-7-[2-(3-hydroxyphenyl)ethoxy]-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;3-[2-[[1-(2,4-dimethylphenyl)-6-methoxy-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethyl]benzoic acid;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid?
The canonical SMILES for 7-[2-(3-carboxyphenyl)ethoxy]-1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;1-(2,4-dimethylphenyl)-7-[2-(3-hydroxyphenyl)ethoxy]-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;3-[2-[[1-(2,4-dimethylphenyl)-6-methoxy-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethyl]benzoic acid;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid is COc1cc2c(cc1OCCc1cccc(C(=O)O)c1)C(c1ccc(C)cc1C)N(C(=O)CCc1cocn1)CC2.Cc1ccc(C2c3cc(OCCc4cccc(C(=O)O)c4)c(C(=O)O)cc3CCN2C(=O)CCc2cocn2)c(C)c1.Cc1ccc(C2c3cc(OCCc4cccc(O)c4)c(C(=O)O)cc3CCN2C(=O)CCc2cocn2)c(C)c1.Cc1ccc(C2c3cc(OCCc4cccnc4)c(C(=O)O)cc3CCN2C(=O)CCc2cocn2)c(C)c1.Cc1ccc(C2c3cc(OCCc4cccnc4)c(C(N)=O)cc3CCN2C(=O)CCc2cocn2)c(C)c1.
What is the InChIKey of 7-[2-(3-carboxyphenyl)ethoxy]-1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;1-(2,4-dimethylphenyl)-7-[2-(3-hydroxyphenyl)ethoxy]-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;3-[2-[[1-(2,4-dimethylphenyl)-6-methoxy-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethyl]benzoic acid;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid?
The InChIKey is BSAUHZXALSVDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O7.C33H34N2O6.C32H32N2O6.C31H32N4O4.C31H31N3O5/c1-20-6-8-26(21(2)14-20)31-27-17-29(42-13-11-22-4-3-5-24(15-22)32(37)38)28(33(39)40)16-23(27)10-12-35(31)30(36)9-7-25-18-41-19-34-25;1-21-7-9-27(22(2)15-21)32-28-18-30(41-14-12-23-5-4-6-25(16-23)33(37)38)29(39-3)17-24(28)11-13-35(32)31(36)10-8-26-19-40-20-34-26;1-20-6-8-26(21(2)14-20)31-27-17-29(40-13-11-22-4-3-5-25(35)15-22)28(32(37)38)16-23(27)10-12-34(31)30(36)9-7-24-18-39-19-33-24;1-20-5-7-25(21(2)14-20)30-26-16-28(39-13-10-22-4-3-11-33-17-22)27(31(32)37)15-23(26)9-12-35(30)29(36)8-6-24-18-38-19-34-24;1-20-5-7-25(21(2)14-20)30-26-16-28(39-13-10-22-4-3-11-32-17-22)27(31(36)37)15-23(26)9-12-34(30)29(35)8-6-24-18-38-19-33-24/h3-6,8,14-19,31H,7,9-13H2,1-2H3,(H,37,38)(H,39,40);4-7,9,15-20,32H,8,10-14H2,1-3H3,(H,37,38);3-6,8,14-19,31,35H,7,9-13H2,1-2H3,(H,37,38);3-5,7,11,14-19,30H,6,8-10,12-13H2,1-2H3,(H2,32,37);3-5,7,11,14-19,30H,6,8-10,12-13H2,1-2H3,(H,36,37).
What are the key properties of 7-[2-(3-carboxyphenyl)ethoxy]-1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;1-(2,4-dimethylphenyl)-7-[2-(3-hydroxyphenyl)ethoxy]-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;3-[2-[[1-(2,4-dimethylphenyl)-6-methoxy-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethyl]benzoic acid;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid?
7-[2-(3-carboxyphenyl)ethoxy]-1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;1-(2,4-dimethylphenyl)-7-[2-(3-hydroxyphenyl)ethoxy]-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;3-[2-[[1-(2,4-dimethylphenyl)-6-methoxy-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethyl]benzoic acid;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid has a molecular weight of 2714.11 g/mol, XLogP of 26.19, 47 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-carboxyphenyl)ethoxy]-1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;1-(2,4-dimethylphenyl)-7-[2-(3-hydroxyphenyl)ethoxy]-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid;3-[2-[[1-(2,4-dimethylphenyl)-6-methoxy-2-[3-(1,3-oxazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethyl]benzoic acid;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxamide;1-(2,4-dimethylphenyl)-2-[3-(1,3-oxazol-4-yl)propanoyl]-7-(2-pyridin-3-ylethoxy)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid is sourced from PubChem (CID 157444360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).