(6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-N-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

C28H41N3O — CID 139726927

IUPAC(6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-N-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCCCN(C(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@H]2N(C)C1)C1CCCCC1
InChIInChI=1S/C28H41N3O/c1-5-14-30(22-10-7-6-8-11-22)28(32)21-15-24-23-12-9-13-25-27(23)20(18-31(25)19(2)3)16-26(24)29(4)17-21/h9,12-13,18-19,21-22,24,26H,5-8,10-11,14-17H2,1-4H3/t21-,24-,26-/m1/s1
InChIKeyPUUMZVUECFVOBU-YMVVMYQSSA-N
MW435.66 g/mol
LogP5.75
Rot. Bonds5

About (6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-N-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

(6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-N-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 139726927) has the molecular formula C28H41N3O and a molecular weight of 435.66 g/mol. Its IUPAC name is (6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-N-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-N-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
PubChem CID139726927
Molecular FormulaC28H41N3O
Molecular Weight435.66 g/mol
Exact Mass435.32
IUPAC Name(6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-N-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCCCN(C(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@H]2N(C)C1)C1CCCCC1
InChIInChI=1S/C28H41N3O/c1-5-14-30(22-10-7-6-8-11-22)28(32)21-15-24-23-12-9-13-25-27(23)20(18-31(25)19(2)3)16-26(24)29(4)17-21/h9,12-13,18-19,21-22,24,26H,5-8,10-11,14-17H2,1-4H3/t21-,24-,26-/m1/s1
InChIKeyPUUMZVUECFVOBU-YMVVMYQSSA-N
XLogP5.75
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.66
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-N-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-N-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-N-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (CID 139726927) is (6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-N-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-N-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-N-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide is CCCN(C(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@H]2N(C)C1)C1CCCCC1.
What is the InChIKey of (6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-N-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is PUUMZVUECFVOBU-YMVVMYQSSA-N. The full InChI is InChI=1S/C28H41N3O/c1-5-14-30(22-10-7-6-8-11-22)28(32)21-15-24-23-12-9-13-25-27(23)20(18-31(25)19(2)3)16-26(24)29(4)17-21/h9,12-13,18-19,21-22,24,26H,5-8,10-11,14-17H2,1-4H3/t21-,24-,26-/m1/s1.
What are the key properties of (6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-N-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-N-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 435.66 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-N-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 139726927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).