calcium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-methoxy-1-methylcyclobutane;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-14-nitroso-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;chloride;hydrochloride

C124H177CaCl2N13O28S3 — CID 162272067

About calcium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-methoxy-1-methylcyclobutane;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-14-nitroso-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;chloride;hydrochloride

calcium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-methoxy-1-methylcyclobutane;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-14-nitroso-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;chloride;hydrochloride (PubChem CID 162272067) has the molecular formula C124H177CaCl2N13O28S3 and a molecular weight of 2505.03 g/mol. Its IUPAC name is calcium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-methoxy-1-methylcyclobutane;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-14-nitroso-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;chloride;hydrochloride.

Molecular Properties

• Compound Name: calcium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-methoxy-1-methylcyclobutane;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-14-nitroso-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;chloride;hydrochloride
• PubChem CID: 162272067
• Molecular Formula: C124H177CaCl2N13O28S3
• Molecular Weight: 2505.03 g/mol
• Exact Mass: 2502.10
• IUPAC Name: calcium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-methoxy-1-methylcyclobutane;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-14-nitroso-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;chloride;hydrochloride
• SMILES: C.COC1(C)CCC1.COc1ccc2c(O[C@@H]3C[C@H]4C(=O)C[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCC[C@H](N=O)C(=O)N4C3)cc(OC(C)C)nc2c1C.COc1ccc2c(O[C@@H]3C[C@H]4C(=O)C[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)N5CC(C)(OC)C5)C(=O)N4C3)cc(OC(C)C)nc2c1C.COc1ccc2c(O[C@@H]3C[C@H]4C(=O)C[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCC[C@H]([NH3+])C(=O)N4C3)cc(OC(C)C)nc2c1C.Cl.[Ca+2].[Cl-].[H-].[H-]
• InChI: InChI=1S/C43H59N5O10S.C37H48N4O9S.C37H50N4O8S.C6H12O.CH4.Ca.2ClH.2H/c1-26(2)57-36-20-35(30-15-16-34(55-6)27(3)37(30)45-36)58-29-19-32-33(49)22-43(39(51)46-59(53,54)42(5)17-18-42)21-28(43)13-11-9-8-10-12-14-31(38(50)48(32)23-29)44-40(52)47-24-41(4,25-47)56-7;1-22(2)49-32-18-31(26-13-14-30(48-5)23(3)33(26)38-32)50-25-17-28-29(42)20-37(35(44)40-51(46,47)36(4)15-16-36)19-24(37)11-9-7-6-8-10-12-27(39-45)34(43)41(28)21-25;1-22(2)48-32-18-31(26-13-14-30(47-5)23(3)33(26)39-32)49-25-17-28-29(42)20-37(35(44)40-50(45,46)36(4)15-16-36)19-24(37)11-9-7-6-8-10-12-27(38)34(43)41(28)21-25;1-6(7-2)4-3-5-6;;;;;;/h11,13,15-16,20,26,28-29,31-32H,8-10,12,14,17-19,21-25H2,1-7H3,(H,44,52)(H,46,51);9,11,13-14,18,22,24-25,27-28H,6-8,10,12,15-17,19-21H2,1-5H3,(H,40,44);9,11,13-14,18,22,24-25,27-28H,6-8,10,12,15-17,19-21,38H2,1-5H3,(H,40,44);3-5H2,1-2H3;1H4;;2*1H;;/q;;;;;+2;;;2*-1/b13-11-;2*11-9-;;;;;;;/t28-,29-,31+,32+,43-;2*24-,25-,27+,28+,37-;;;;;;;/m111......./s1
• InChIKey: ZHURLKNQGBRBGI-IIFUTSOISA-N
• XLogP: 13.54
• TPSA: 531.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2505.03
LogP ≤ 5	13.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-methoxy-1-methylcyclobutane;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-14-nitroso-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;chloride;hydrochloride?

The IUPAC name of calcium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-methoxy-1-methylcyclobutane;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-14-nitroso-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;chloride;hydrochloride (CID 162272067) is calcium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-methoxy-1-methylcyclobutane;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-14-nitroso-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;chloride;hydrochloride.

What is the SMILES notation for calcium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-methoxy-1-methylcyclobutane;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-14-nitroso-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;chloride;hydrochloride?

The canonical SMILES for calcium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-methoxy-1-methylcyclobutane;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-14-nitroso-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;chloride;hydrochloride is C.COC1(C)CCC1.COc1ccc2c(O[C@@H]3C[C@H]4C(=O)C[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCC[C@H](N=O)C(=O)N4C3)cc(OC(C)C)nc2c1C.COc1ccc2c(O[C@@H]3C[C@H]4C(=O)C[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)N5CC(C)(OC)C5)C(=O)N4C3)cc(OC(C)C)nc2c1C.COc1ccc2c(O[C@@H]3C[C@H]4C(=O)C[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCC[C@H]([NH3+])C(=O)N4C3)cc(OC(C)C)nc2c1C.Cl.[Ca+2].[Cl-].[H-].[H-].

What is the InChIKey of calcium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-methoxy-1-methylcyclobutane;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-14-nitroso-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;chloride;hydrochloride?

The InChIKey is ZHURLKNQGBRBGI-IIFUTSOISA-N. The full InChI is InChI=1S/C43H59N5O10S.C37H48N4O9S.C37H50N4O8S.C6H12O.CH4.Ca.2ClH.2H/c1-26(2)57-36-20-35(30-15-16-34(55-6)27(3)37(30)45-36)58-29-19-32-33(49)22-43(39(51)46-59(53,54)42(5)17-18-42)21-28(43)13-11-9-8-10-12-14-31(38(50)48(32)23-29)44-40(52)47-24-41(4,25-47)56-7;1-22(2)49-32-18-31(26-13-14-30(48-5)23(3)33(26)38-32)50-25-17-28-29(42)20-37(35(44)40-51(46,47)36(4)15-16-36)19-24(37)11-9-7-6-8-10-12-27(39-45)34(43)41(28)21-25;1-22(2)48-32-18-31(26-13-14-30(47-5)23(3)33(26)39-32)49-25-17-28-29(42)20-37(35(44)40-50(45,46)36(4)15-16-36)19-24(37)11-9-7-6-8-10-12-27(38)34(43)41(28)21-25;1-6(7-2)4-3-5-6;;;;;;/h11,13,15-16,20,26,28-29,31-32H,8-10,12,14,17-19,21-25H2,1-7H3,(H,44,52)(H,46,51);9,11,13-14,18,22,24-25,27-28H,6-8,10,12,15-17,19-21H2,1-5H3,(H,40,44);9,11,13-14,18,22,24-25,27-28H,6-8,10,12,15-17,19-21,38H2,1-5H3,(H,40,44);3-5H2,1-2H3;1H4;;2*1H;;/q;;;;;+2;;;2*-1/b13-11-;2*11-9-;;;;;;;/t28-,29-,31+,32+,43-;2*24-,25-,27+,28+,37-;;;;;;;/m111......./s1.

What are the key properties of calcium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-methoxy-1-methylcyclobutane;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-14-nitroso-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;chloride;hydrochloride?

calcium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-methoxy-1-methylcyclobutane;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-14-nitroso-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;chloride;hydrochloride has a molecular weight of 2505.03 g/mol, XLogP of 13.54, 28 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for calcium;hydride;methane;(1S,4R,6S,7Z,14S,18R)-14-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;1-methoxy-1-methylcyclobutane;[(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium;(1S,4R,6S,7Z,14S,18R)-18-(7-methoxy-8-methyl-2-propan-2-yloxyquinolin-4-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-14-nitroso-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;chloride;hydrochloride is sourced from PubChem (CID 162272067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).