8-[4-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,4-diazepan-1-yl]-7-methoxy-6-methylquinoline;2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoic acid;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;methyl 2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoate;3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide

C154H199F2N27O11S2 — CID 158884969

IUPAC8-[4-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,4-diazepan-1-yl]-7-methoxy-6-methylquinoline;2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoic acid;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;methyl 2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoate;3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCC(C)c1cc(N2CCCN(C(CC(=O)NCCN3CCCC3)c3csc(N4CCC(C)(O)CC4)n3)CC2)c2ncccc2c1.CC(C)c1cc(N2CCCN(C(CC(=O)NCCN3CCCC3)c3csc(N4CCOCC4)n3)CC2)c2ncccc2c1.COC(=O)C(C)(C)COc1c(C)cc2cccnc2c1N1CCCN(Cc2ccn(-c3ccccc3)n2)CC1.COc1c(C)cc2cccnc2c1N1CCCN(Cc2cccc(C(C)(F)F)c2)CC1.Cc1cc2cccnc2c(N2CCCN(Cc3ccn(-c4ccccc4)n3)CC2)c1OCC(C)(C)C(=O)O
InChIInChI=1S/C35H51N7O2S.C33H47N7O2S.C31H37N5O3.C30H35N5O3.C25H29F2N3O/c1-26(2)28-22-27-8-6-11-37-33(27)31(23-28)41-16-7-15-40(20-21-41)30(24-32(43)36-12-19-39-13-4-5-14-39)29-25-45-34(38-29)42-17-9-35(3,44)10-18-42;1-25(2)27-21-26-7-5-8-35-32(26)30(22-27)39-13-6-12-38(15-16-39)29(23-31(41)34-9-14-37-10-3-4-11-37)28-24-43-33(36-28)40-17-19-42-20-18-40;1-23-20-24-10-8-14-32-27(24)28(29(23)39-22-31(2,3)30(37)38-4)35-16-9-15-34(18-19-35)21-25-13-17-36(33-25)26-11-6-5-7-12-26;1-22-19-23-9-7-13-31-26(23)27(28(22)38-21-30(2,3)29(36)37)34-15-8-14-33(17-18-34)20-24-12-16-35(32-24)25-10-5-4-6-11-25;1-18-15-20-8-5-10-28-22(20)23(24(18)31-3)30-12-6-11-29(13-14-30)17-19-7-4-9-21(16-19)25(2,26)27/h6,8,11,22-23,25-26,30,44H,4-5,7,9-10,12-21,24H2,1-3H3,(H,36,43);5,7-8,21-22,24-25,29H,3-4,6,9-20,23H2,1-2H3,(H,34,41);5-8,10-14,17,20H,9,15-16,18-19,21-22H2,1-4H3;4-7,9-13,16,19H,8,14-15,17-18,20-21H2,1-3H3,(H,36,37);4-5,7-10,15-16H,6,11-14,17H2,1-3H3
InChIKeyJDMZNNOEPKOGFQ-UHFFFAOYSA-N
MW2706.59 g/mol
LogP24.85
Rot. Bonds41

About 8-[4-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,4-diazepan-1-yl]-7-methoxy-6-methylquinoline;2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoic acid;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;methyl 2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoate;3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide

8-[4-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,4-diazepan-1-yl]-7-methoxy-6-methylquinoline;2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoic acid;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;methyl 2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoate;3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 158884969) has the molecular formula C154H199F2N27O11S2 and a molecular weight of 2706.59 g/mol. Its IUPAC name is 8-[4-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,4-diazepan-1-yl]-7-methoxy-6-methylquinoline;2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoic acid;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;methyl 2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoate;3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name8-[4-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,4-diazepan-1-yl]-7-methoxy-6-methylquinoline;2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoic acid;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;methyl 2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoate;3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID158884969
Molecular FormulaC154H199F2N27O11S2
Molecular Weight2706.59 g/mol
Exact Mass2704.53
IUPAC Name8-[4-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,4-diazepan-1-yl]-7-methoxy-6-methylquinoline;2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoic acid;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;methyl 2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoate;3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCC(C)c1cc(N2CCCN(C(CC(=O)NCCN3CCCC3)c3csc(N4CCC(C)(O)CC4)n3)CC2)c2ncccc2c1.CC(C)c1cc(N2CCCN(C(CC(=O)NCCN3CCCC3)c3csc(N4CCOCC4)n3)CC2)c2ncccc2c1.COC(=O)C(C)(C)COc1c(C)cc2cccnc2c1N1CCCN(Cc2ccn(-c3ccccc3)n2)CC1.COc1c(C)cc2cccnc2c1N1CCCN(Cc2cccc(C(C)(F)F)c2)CC1.Cc1cc2cccnc2c(N2CCCN(Cc3ccn(-c4ccccc4)n3)CC2)c1OCC(C)(C)C(=O)O
InChIInChI=1S/C35H51N7O2S.C33H47N7O2S.C31H37N5O3.C30H35N5O3.C25H29F2N3O/c1-26(2)28-22-27-8-6-11-37-33(27)31(23-28)41-16-7-15-40(20-21-41)30(24-32(43)36-12-19-39-13-4-5-14-39)29-25-45-34(38-29)42-17-9-35(3,44)10-18-42;1-25(2)27-21-26-7-5-8-35-32(26)30(22-27)39-13-6-12-38(15-16-39)29(23-31(41)34-9-14-37-10-3-4-11-37)28-24-43-33(36-28)40-17-19-42-20-18-40;1-23-20-24-10-8-14-32-27(24)28(29(23)39-22-31(2,3)30(37)38-4)35-16-9-15-34(18-19-35)21-25-13-17-36(33-25)26-11-6-5-7-12-26;1-22-19-23-9-7-13-31-26(23)27(28(22)38-21-30(2,3)29(36)37)34-15-8-14-33(17-18-34)20-24-12-16-35(32-24)25-10-5-4-6-11-25;1-18-15-20-8-5-10-28-22(20)23(24(18)31-3)30-12-6-11-29(13-14-30)17-19-7-4-9-21(16-19)25(2,26)27/h6,8,11,22-23,25-26,30,44H,4-5,7,9-10,12-21,24H2,1-3H3,(H,36,43);5,7-8,21-22,24-25,29H,3-4,6,9-20,23H2,1-2H3,(H,34,41);5-8,10-14,17,20H,9,15-16,18-19,21-22H2,1-4H3;4-7,9-13,16,19H,8,14-15,17-18,20-21H2,1-3H3,(H,36,37);4-5,7-10,15-16H,6,11-14,17H2,1-3H3
InChIKeyJDMZNNOEPKOGFQ-UHFFFAOYSA-N
XLogP24.85
TPSA350.18 Ų
H-Bond Donors4
H-Bond Acceptors37
Rotatable Bonds41
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002706.59
LogP ≤ 524.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1037

Analyze 8-[4-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,4-diazepan-1-yl]-7-methoxy-6-methylquinoline;2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoic acid;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;methyl 2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoate;3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,4-diazepan-1-yl]-7-methoxy-6-methylquinoline;2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoic acid;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;methyl 2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoate;3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 8-[4-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,4-diazepan-1-yl]-7-methoxy-6-methylquinoline;2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoic acid;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;methyl 2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoate;3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 158884969) is 8-[4-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,4-diazepan-1-yl]-7-methoxy-6-methylquinoline;2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoic acid;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;methyl 2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoate;3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 8-[4-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,4-diazepan-1-yl]-7-methoxy-6-methylquinoline;2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoic acid;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;methyl 2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoate;3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 8-[4-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,4-diazepan-1-yl]-7-methoxy-6-methylquinoline;2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoic acid;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;methyl 2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoate;3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide is CC(C)c1cc(N2CCCN(C(CC(=O)NCCN3CCCC3)c3csc(N4CCC(C)(O)CC4)n3)CC2)c2ncccc2c1.CC(C)c1cc(N2CCCN(C(CC(=O)NCCN3CCCC3)c3csc(N4CCOCC4)n3)CC2)c2ncccc2c1.COC(=O)C(C)(C)COc1c(C)cc2cccnc2c1N1CCCN(Cc2ccn(-c3ccccc3)n2)CC1.COc1c(C)cc2cccnc2c1N1CCCN(Cc2cccc(C(C)(F)F)c2)CC1.Cc1cc2cccnc2c(N2CCCN(Cc3ccn(-c4ccccc4)n3)CC2)c1OCC(C)(C)C(=O)O.
What is the InChIKey of 8-[4-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,4-diazepan-1-yl]-7-methoxy-6-methylquinoline;2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoic acid;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;methyl 2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoate;3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is JDMZNNOEPKOGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H51N7O2S.C33H47N7O2S.C31H37N5O3.C30H35N5O3.C25H29F2N3O/c1-26(2)28-22-27-8-6-11-37-33(27)31(23-28)41-16-7-15-40(20-21-41)30(24-32(43)36-12-19-39-13-4-5-14-39)29-25-45-34(38-29)42-17-9-35(3,44)10-18-42;1-25(2)27-21-26-7-5-8-35-32(26)30(22-27)39-13-6-12-38(15-16-39)29(23-31(41)34-9-14-37-10-3-4-11-37)28-24-43-33(36-28)40-17-19-42-20-18-40;1-23-20-24-10-8-14-32-27(24)28(29(23)39-22-31(2,3)30(37)38-4)35-16-9-15-34(18-19-35)21-25-13-17-36(33-25)26-11-6-5-7-12-26;1-22-19-23-9-7-13-31-26(23)27(28(22)38-21-30(2,3)29(36)37)34-15-8-14-33(17-18-34)20-24-12-16-35(32-24)25-10-5-4-6-11-25;1-18-15-20-8-5-10-28-22(20)23(24(18)31-3)30-12-6-11-29(13-14-30)17-19-7-4-9-21(16-19)25(2,26)27/h6,8,11,22-23,25-26,30,44H,4-5,7,9-10,12-21,24H2,1-3H3,(H,36,43);5,7-8,21-22,24-25,29H,3-4,6,9-20,23H2,1-2H3,(H,34,41);5-8,10-14,17,20H,9,15-16,18-19,21-22H2,1-4H3;4-7,9-13,16,19H,8,14-15,17-18,20-21H2,1-3H3,(H,36,37);4-5,7-10,15-16H,6,11-14,17H2,1-3H3.
What are the key properties of 8-[4-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,4-diazepan-1-yl]-7-methoxy-6-methylquinoline;2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoic acid;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;methyl 2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoate;3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
8-[4-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,4-diazepan-1-yl]-7-methoxy-6-methylquinoline;2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoic acid;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;methyl 2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoate;3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 2706.59 g/mol, XLogP of 24.85, 41 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[[3-(1,1-difluoroethyl)phenyl]methyl]-1,4-diazepan-1-yl]-7-methoxy-6-methylquinoline;2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoic acid;3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide;methyl 2,2-dimethyl-3-[6-methyl-8-[4-[(1-phenylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxypropanoate;3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3-[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 158884969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).