2-(10a-methoxy-4,5,7-trimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl)-N'-hydroxyethanimidamide

C20H28N4O2 — CID 54070183

About 2-(10a-methoxy-4,5,7-trimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl)-N'-hydroxyethanimidamide

2-(10a-methoxy-4,5,7-trimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl)-N'-hydroxyethanimidamide (PubChem CID 54070183) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(10a-methoxy-4,5,7-trimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl)-N'-hydroxyethanimidamide.

Molecular Properties

• Compound Name: 2-(10a-methoxy-4,5,7-trimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl)-N'-hydroxyethanimidamide
• PubChem CID: 54070183
• Molecular Formula: C20H28N4O2
• Molecular Weight: 356.47 g/mol
• Exact Mass: 356.22
• IUPAC Name: 2-(10a-methoxy-4,5,7-trimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl)-N'-hydroxyethanimidamide
• SMILES: COC12CC(CC(N)=NO)CN(C)C1Cc1c(C)n(C)c3cccc2c13
• InChI: InChI=1S/C20H28N4O2/c1-12-14-9-17-20(26-4,10-13(11-23(17)2)8-18(21)22-25)15-6-5-7-16(19(14)15)24(12)3/h5-7,13,17,25H,8-11H2,1-4H3,(H2,21,22)
• InChIKey: MFWWZKHQCQEIJM-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 76.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.47
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(10a-methoxy-4,5,7-trimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl)-N'-hydroxyethanimidamide?

The IUPAC name of 2-(10a-methoxy-4,5,7-trimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl)-N'-hydroxyethanimidamide (CID 54070183) is 2-(10a-methoxy-4,5,7-trimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl)-N'-hydroxyethanimidamide.

What is the SMILES notation for 2-(10a-methoxy-4,5,7-trimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl)-N'-hydroxyethanimidamide?

The canonical SMILES for 2-(10a-methoxy-4,5,7-trimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl)-N'-hydroxyethanimidamide is COC12CC(CC(N)=NO)CN(C)C1Cc1c(C)n(C)c3cccc2c13.

What is the InChIKey of 2-(10a-methoxy-4,5,7-trimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl)-N'-hydroxyethanimidamide?

The InChIKey is MFWWZKHQCQEIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-12-14-9-17-20(26-4,10-13(11-23(17)2)8-18(21)22-25)15-6-5-7-16(19(14)15)24(12)3/h5-7,13,17,25H,8-11H2,1-4H3,(H2,21,22).

What are the key properties of 2-(10a-methoxy-4,5,7-trimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl)-N'-hydroxyethanimidamide?

2-(10a-methoxy-4,5,7-trimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl)-N'-hydroxyethanimidamide has a molecular weight of 356.47 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(10a-methoxy-4,5,7-trimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 54070183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).