5-(3-ethylcyclohex-2-en-1-yl)-9-fluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

C27H30FNO — CID 10341139

About 5-(3-ethylcyclohex-2-en-1-yl)-9-fluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

5-(3-ethylcyclohex-2-en-1-yl)-9-fluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 10341139) has the molecular formula C27H30FNO and a molecular weight of 403.54 g/mol. Its IUPAC name is 5-(3-ethylcyclohex-2-en-1-yl)-9-fluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

• Compound Name: 5-(3-ethylcyclohex-2-en-1-yl)-9-fluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
• PubChem CID: 10341139
• Molecular Formula: C27H30FNO
• Molecular Weight: 403.54 g/mol
• Exact Mass: 403.23
• IUPAC Name: 5-(3-ethylcyclohex-2-en-1-yl)-9-fluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
• SMILES: CCC1=CC(C2Oc3ccc(F)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)CCC1
• InChI: InChI=1S/C27H30FNO/c1-5-17-7-6-8-18(13-17)26-25-20(21-14-19(28)9-12-23(21)30-26)10-11-22-24(25)16(2)15-27(3,4)29-22/h9-15,18,26,29H,5-8H2,1-4H3
• InChIKey: VNAHRFLJZYRVND-UHFFFAOYSA-N
• XLogP: 7.67
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.54
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylcyclohex-2-en-1-yl)-9-fluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?

The IUPAC name of 5-(3-ethylcyclohex-2-en-1-yl)-9-fluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 10341139) is 5-(3-ethylcyclohex-2-en-1-yl)-9-fluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.

What is the SMILES notation for 5-(3-ethylcyclohex-2-en-1-yl)-9-fluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?

The canonical SMILES for 5-(3-ethylcyclohex-2-en-1-yl)-9-fluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is CCC1=CC(C2Oc3ccc(F)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)CCC1.

What is the InChIKey of 5-(3-ethylcyclohex-2-en-1-yl)-9-fluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?

The InChIKey is VNAHRFLJZYRVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FNO/c1-5-17-7-6-8-18(13-17)26-25-20(21-14-19(28)9-12-23(21)30-26)10-11-22-24(25)16(2)15-27(3,4)29-22/h9-15,18,26,29H,5-8H2,1-4H3.

What are the key properties of 5-(3-ethylcyclohex-2-en-1-yl)-9-fluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?

5-(3-ethylcyclohex-2-en-1-yl)-9-fluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 403.54 g/mol, XLogP of 7.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-ethylcyclohex-2-en-1-yl)-9-fluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 10341139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).