(6aR,9R,10aS)-N-cycloheptyl-N-methyl-4-propan-2-yl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-ethyl-7-methyl-N-(4-methylcyclohexyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;butanedioic acid

C112H162N12O8 — CID 173375782

About (6aR,9R,10aS)-N-cycloheptyl-N-methyl-4-propan-2-yl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-ethyl-7-methyl-N-(4-methylcyclohexyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;butanedioic acid

(6aR,9R,10aS)-N-cycloheptyl-N-methyl-4-propan-2-yl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-ethyl-7-methyl-N-(4-methylcyclohexyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;butanedioic acid (PubChem CID 173375782) has the molecular formula C112H162N12O8 and a molecular weight of 1804.60 g/mol. Its IUPAC name is (6aR,9R,10aS)-N-cycloheptyl-N-methyl-4-propan-2-yl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-ethyl-7-methyl-N-(4-methylcyclohexyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;butanedioic acid.

Molecular Properties

• Compound Name: (6aR,9R,10aS)-N-cycloheptyl-N-methyl-4-propan-2-yl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-ethyl-7-methyl-N-(4-methylcyclohexyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;butanedioic acid
• PubChem CID: 173375782
• Molecular Formula: C112H162N12O8
• Molecular Weight: 1804.60 g/mol
• Exact Mass: 1803.26
• IUPAC Name: (6aR,9R,10aS)-N-cycloheptyl-N-methyl-4-propan-2-yl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-ethyl-7-methyl-N-(4-methylcyclohexyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;butanedioic acid
• SMILES: CCCN1CC(C(=O)NC2CCCCC2)CC2c3cccc4c3c(cn4C(C)(C)C)C[C@H]21.CCCN1C[C@H](C(=O)N(C)C2CCCCCC2)C[C@H]2c3cccc4c3c(cn4C(C)C)C[C@H]21.CCn1cc2c3c(cccc31)C1CC(C(=O)NC3CCC(C)CC3)CN(C)[C@@H]1C2.CN1CC(C(=O)NC2CCCCC2)CC2c3cccc4c3c(cn4C(C)(C)C)C[C@H]21.O=C(O)CCC(=O)O
• InChI: InChI=1S/C29H43N3O.C28H41N3O.C26H37N3O.C25H35N3O.C4H6O4/c1-5-15-31-18-22(29(33)30(4)23-11-8-6-7-9-12-23)16-25-24-13-10-14-26-28(24)21(17-27(25)31)19-32(26)20(2)3;1-5-14-30-17-20(27(32)29-21-10-7-6-8-11-21)15-23-22-12-9-13-24-26(22)19(16-25(23)30)18-31(24)28(2,3)4;1-26(2,3)29-16-17-14-23-21(20-11-8-12-22(29)24(17)20)13-18(15-28(23)4)25(30)27-19-9-6-5-7-10-19;1-4-28-15-17-13-23-21(20-6-5-7-22(28)24(17)20)12-18(14-27(23)3)25(29)26-19-10-8-16(2)9-11-19;5-3(6)1-2-4(7)8/h10,13-14,19-20,22-23,25,27H,5-9,11-12,15-18H2,1-4H3;9,12-13,18,20-21,23,25H,5-8,10-11,14-17H2,1-4H3,(H,29,32);8,11-12,16,18-19,21,23H,5-7,9-10,13-15H2,1-4H3,(H,27,30);5-7,15-16,18-19,21,23H,4,8-14H2,1-3H3,(H,26,29);1-2H2,(H,5,6)(H,7,8)/t22-,25+,27-;20?,23?,25-;18?,21?,23-;16?,18?,19?,21?,23-;/m1111./s1
• InChIKey: XXNOEFAVUWYJGZ-XQYRCKTDSA-N
• XLogP: 20.79
• TPSA: 214.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1804.60
LogP ≤ 5	20.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6aR,9R,10aS)-N-cycloheptyl-N-methyl-4-propan-2-yl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-ethyl-7-methyl-N-(4-methylcyclohexyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;butanedioic acid?

The IUPAC name of (6aR,9R,10aS)-N-cycloheptyl-N-methyl-4-propan-2-yl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-ethyl-7-methyl-N-(4-methylcyclohexyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;butanedioic acid (CID 173375782) is (6aR,9R,10aS)-N-cycloheptyl-N-methyl-4-propan-2-yl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-ethyl-7-methyl-N-(4-methylcyclohexyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;butanedioic acid.

What is the SMILES notation for (6aR,9R,10aS)-N-cycloheptyl-N-methyl-4-propan-2-yl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-ethyl-7-methyl-N-(4-methylcyclohexyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;butanedioic acid?

The canonical SMILES for (6aR,9R,10aS)-N-cycloheptyl-N-methyl-4-propan-2-yl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-ethyl-7-methyl-N-(4-methylcyclohexyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;butanedioic acid is CCCN1CC(C(=O)NC2CCCCC2)CC2c3cccc4c3c(cn4C(C)(C)C)C[C@H]21.CCCN1C[C@H](C(=O)N(C)C2CCCCCC2)C[C@H]2c3cccc4c3c(cn4C(C)C)C[C@H]21.CCn1cc2c3c(cccc31)C1CC(C(=O)NC3CCC(C)CC3)CN(C)[C@@H]1C2.CN1CC(C(=O)NC2CCCCC2)CC2c3cccc4c3c(cn4C(C)(C)C)C[C@H]21.O=C(O)CCC(=O)O.

What is the InChIKey of (6aR,9R,10aS)-N-cycloheptyl-N-methyl-4-propan-2-yl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-ethyl-7-methyl-N-(4-methylcyclohexyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;butanedioic acid?

The InChIKey is XXNOEFAVUWYJGZ-XQYRCKTDSA-N. The full InChI is InChI=1S/C29H43N3O.C28H41N3O.C26H37N3O.C25H35N3O.C4H6O4/c1-5-15-31-18-22(29(33)30(4)23-11-8-6-7-9-12-23)16-25-24-13-10-14-26-28(24)21(17-27(25)31)19-32(26)20(2)3;1-5-14-30-17-20(27(32)29-21-10-7-6-8-11-21)15-23-22-12-9-13-24-26(22)19(16-25(23)30)18-31(24)28(2,3)4;1-26(2,3)29-16-17-14-23-21(20-11-8-12-22(29)24(17)20)13-18(15-28(23)4)25(30)27-19-9-6-5-7-10-19;1-4-28-15-17-13-23-21(20-6-5-7-22(28)24(17)20)12-18(14-27(23)3)25(29)26-19-10-8-16(2)9-11-19;5-3(6)1-2-4(7)8/h10,13-14,19-20,22-23,25,27H,5-9,11-12,15-18H2,1-4H3;9,12-13,18,20-21,23,25H,5-8,10-11,14-17H2,1-4H3,(H,29,32);8,11-12,16,18-19,21,23H,5-7,9-10,13-15H2,1-4H3,(H,27,30);5-7,15-16,18-19,21,23H,4,8-14H2,1-3H3,(H,26,29);1-2H2,(H,5,6)(H,7,8)/t22-,25+,27-;20?,23?,25-;18?,21?,23-;16?,18?,19?,21?,23-;/m1111./s1.

What are the key properties of (6aR,9R,10aS)-N-cycloheptyl-N-methyl-4-propan-2-yl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-ethyl-7-methyl-N-(4-methylcyclohexyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;butanedioic acid?

(6aR,9R,10aS)-N-cycloheptyl-N-methyl-4-propan-2-yl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-ethyl-7-methyl-N-(4-methylcyclohexyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;butanedioic acid has a molecular weight of 1804.60 g/mol, XLogP of 20.79, 17 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (6aR,9R,10aS)-N-cycloheptyl-N-methyl-4-propan-2-yl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-tert-butyl-N-cyclohexyl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR)-4-ethyl-7-methyl-N-(4-methylcyclohexyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;butanedioic acid is sourced from PubChem (CID 173375782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).