(6aR)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C29H40N4O2 — CID 18598513

IUPAC(6aR)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCN1CC(C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)CC2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C29H40N4O2/c1-32-18-20(15-24-23-13-8-14-25-27(23)19(17-30-25)16-26(24)32)28(34)33(22-11-6-3-7-12-22)29(35)31-21-9-4-2-5-10-21/h8,13-14,17,20-22,24,26,30H,2-7,9-12,15-16,18H2,1H3,(H,31,35)/t20?,24?,26-/m1/s1
InChIKeyNZTJAZSUOKGWKI-IREOKEETSA-N
MW476.67 g/mol
LogP5.33
Rot. Bonds3

About (6aR)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

(6aR)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 18598513) has the molecular formula C29H40N4O2 and a molecular weight of 476.67 g/mol. Its IUPAC name is (6aR)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID18598513
Molecular FormulaC29H40N4O2
Molecular Weight476.67 g/mol
Exact Mass476.32
IUPAC Name(6aR)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCN1CC(C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)CC2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C29H40N4O2/c1-32-18-20(15-24-23-13-8-14-25-27(23)19(17-30-25)16-26(24)32)28(34)33(22-11-6-3-7-12-22)29(35)31-21-9-4-2-5-10-21/h8,13-14,17,20-22,24,26,30H,2-7,9-12,15-16,18H2,1H3,(H,31,35)/t20?,24?,26-/m1/s1
InChIKeyNZTJAZSUOKGWKI-IREOKEETSA-N
XLogP5.33
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.67
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6aR)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6aR)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 18598513) is (6aR)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is CN1CC(C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)CC2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of (6aR)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is NZTJAZSUOKGWKI-IREOKEETSA-N. The full InChI is InChI=1S/C29H40N4O2/c1-32-18-20(15-24-23-13-8-14-25-27(23)19(17-30-25)16-26(24)32)28(34)33(22-11-6-3-7-12-22)29(35)31-21-9-4-2-5-10-21/h8,13-14,17,20-22,24,26,30H,2-7,9-12,15-16,18H2,1H3,(H,31,35)/t20?,24?,26-/m1/s1.
What are the key properties of (6aR)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
(6aR)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 476.67 g/mol, XLogP of 5.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 18598513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).