(6aR,10aR)-N-(ethylcarbamoyl)-N-[3-[methyl(2-oxopropyl)amino]propyl]-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide

C25H35N5O3 — CID 143894288

About (6aR,10aR)-N-(ethylcarbamoyl)-N-[3-[methyl(2-oxopropyl)amino]propyl]-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide

(6aR,10aR)-N-(ethylcarbamoyl)-N-[3-[methyl(2-oxopropyl)amino]propyl]-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 143894288) has the molecular formula C25H35N5O3 and a molecular weight of 453.59 g/mol. Its IUPAC name is (6aR,10aR)-N-(ethylcarbamoyl)-N-[3-[methyl(2-oxopropyl)amino]propyl]-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

• Compound Name: (6aR,10aR)-N-(ethylcarbamoyl)-N-[3-[methyl(2-oxopropyl)amino]propyl]-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide
• PubChem CID: 143894288
• Molecular Formula: C25H35N5O3
• Molecular Weight: 453.59 g/mol
• Exact Mass: 453.27
• IUPAC Name: (6aR,10aR)-N-(ethylcarbamoyl)-N-[3-[methyl(2-oxopropyl)amino]propyl]-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide
• SMILES: CCNC(=O)N(CCCN(C)CC(C)=O)C(=O)C1CN[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1
• InChI: InChI=1S/C25H35N5O3/c1-4-26-25(33)30(10-6-9-29(3)15-16(2)31)24(32)18-11-20-19-7-5-8-21-23(19)17(13-27-21)12-22(20)28-14-18/h5,7-8,13,18,20,22,27-28H,4,6,9-12,14-15H2,1-3H3,(H,26,33)/t18?,20-,22-/m1/s1
• InChIKey: FWMGGKAWQXVIQN-KXBOQVSUSA-N
• XLogP: 2.25
• TPSA: 97.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.59
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-N-(ethylcarbamoyl)-N-[3-[methyl(2-oxopropyl)amino]propyl]-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide?

The IUPAC name of (6aR,10aR)-N-(ethylcarbamoyl)-N-[3-[methyl(2-oxopropyl)amino]propyl]-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide (CID 143894288) is (6aR,10aR)-N-(ethylcarbamoyl)-N-[3-[methyl(2-oxopropyl)amino]propyl]-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide.

What is the SMILES notation for (6aR,10aR)-N-(ethylcarbamoyl)-N-[3-[methyl(2-oxopropyl)amino]propyl]-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide?

The canonical SMILES for (6aR,10aR)-N-(ethylcarbamoyl)-N-[3-[methyl(2-oxopropyl)amino]propyl]-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide is CCNC(=O)N(CCCN(C)CC(C)=O)C(=O)C1CN[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1.

What is the InChIKey of (6aR,10aR)-N-(ethylcarbamoyl)-N-[3-[methyl(2-oxopropyl)amino]propyl]-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide?

The InChIKey is FWMGGKAWQXVIQN-KXBOQVSUSA-N. The full InChI is InChI=1S/C25H35N5O3/c1-4-26-25(33)30(10-6-9-29(3)15-16(2)31)24(32)18-11-20-19-7-5-8-21-23(19)17(13-27-21)12-22(20)28-14-18/h5,7-8,13,18,20,22,27-28H,4,6,9-12,14-15H2,1-3H3,(H,26,33)/t18?,20-,22-/m1/s1.

What are the key properties of (6aR,10aR)-N-(ethylcarbamoyl)-N-[3-[methyl(2-oxopropyl)amino]propyl]-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide?

(6aR,10aR)-N-(ethylcarbamoyl)-N-[3-[methyl(2-oxopropyl)amino]propyl]-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6aR,10aR)-N-(ethylcarbamoyl)-N-[3-[methyl(2-oxopropyl)amino]propyl]-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 143894288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).