ethane;7-[2-(2-methoxyphenyl)ethyl]-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C29H37N3O2 — CID 172578080

About ethane;7-[2-(2-methoxyphenyl)ethyl]-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

ethane;7-[2-(2-methoxyphenyl)ethyl]-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 172578080) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is ethane;7-[2-(2-methoxyphenyl)ethyl]-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

• Compound Name: ethane;7-[2-(2-methoxyphenyl)ethyl]-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
• PubChem CID: 172578080
• Molecular Formula: C29H37N3O2
• Molecular Weight: 459.63 g/mol
• Exact Mass: 459.29
• IUPAC Name: ethane;7-[2-(2-methoxyphenyl)ethyl]-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
• SMILES: CC.CCCNC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(CCc2ccccc2OC)C1
• InChI: InChI=1S/C27H31N3O2.C2H6/c1-3-12-28-27(31)20-14-22-21-8-6-9-23-26(21)19(16-29-23)15-24(22)30(17-20)13-11-18-7-4-5-10-25(18)32-2;1-2/h4-10,14,16,20,24,29H,3,11-13,15,17H2,1-2H3,(H,28,31);1-2H3
• InChIKey: RIDYKUFSTKFFGY-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 57.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.63
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of ethane;7-[2-(2-methoxyphenyl)ethyl]-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?

The IUPAC name of ethane;7-[2-(2-methoxyphenyl)ethyl]-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 172578080) is ethane;7-[2-(2-methoxyphenyl)ethyl]-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

What is the SMILES notation for ethane;7-[2-(2-methoxyphenyl)ethyl]-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?

The canonical SMILES for ethane;7-[2-(2-methoxyphenyl)ethyl]-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is CC.CCCNC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(CCc2ccccc2OC)C1.

What is the InChIKey of ethane;7-[2-(2-methoxyphenyl)ethyl]-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?

The InChIKey is RIDYKUFSTKFFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2.C2H6/c1-3-12-28-27(31)20-14-22-21-8-6-9-23-26(21)19(16-29-23)15-24(22)30(17-20)13-11-18-7-4-5-10-25(18)32-2;1-2/h4-10,14,16,20,24,29H,3,11-13,15,17H2,1-2H3,(H,28,31);1-2H3.

What are the key properties of ethane;7-[2-(2-methoxyphenyl)ethyl]-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?

ethane;7-[2-(2-methoxyphenyl)ethyl]-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 459.63 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;7-[2-(2-methoxyphenyl)ethyl]-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 172578080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).