(4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6,8-tetramethyl-9,10-dihydrobenzo[h]quinoline

C28H36FN — CID 156706395

About (4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6,8-tetramethyl-9,10-dihydrobenzo[h]quinoline

(4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6,8-tetramethyl-9,10-dihydrobenzo[h]quinoline (PubChem CID 156706395) has the molecular formula C28H36FN and a molecular weight of 405.60 g/mol. Its IUPAC name is (4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6,8-tetramethyl-9,10-dihydrobenzo[h]quinoline.

Molecular Properties

• Compound Name: (4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6,8-tetramethyl-9,10-dihydrobenzo[h]quinoline
• PubChem CID: 156706395
• Molecular Formula: C28H36FN
• Molecular Weight: 405.60 g/mol
• Exact Mass: 405.28
• IUPAC Name: (4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6,8-tetramethyl-9,10-dihydrobenzo[h]quinoline
• SMILES: C/C=c1/ccnc2c1=C(C)C(C)(C)C1=C2C(C2(C=CCC)CC2CC)CC(C)=C1F
• InChI: InChI=1S/C28H36FN/c1-8-11-13-28(16-20(28)10-3)21-15-17(4)25(29)24-23(21)26-22(18(5)27(24,6)7)19(9-2)12-14-30-26/h9,11-14,20-21H,8,10,15-16H2,1-7H3/b13-11?,19-9-
• InChIKey: QYPGXYGBCOLYQY-IVWNFOJFSA-N
• XLogP: 6.49
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.60
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6,8-tetramethyl-9,10-dihydrobenzo[h]quinoline?

The IUPAC name of (4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6,8-tetramethyl-9,10-dihydrobenzo[h]quinoline (CID 156706395) is (4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6,8-tetramethyl-9,10-dihydrobenzo[h]quinoline.

What is the SMILES notation for (4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6,8-tetramethyl-9,10-dihydrobenzo[h]quinoline?

The canonical SMILES for (4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6,8-tetramethyl-9,10-dihydrobenzo[h]quinoline is C/C=c1/ccnc2c1=C(C)C(C)(C)C1=C2C(C2(C=CCC)CC2CC)CC(C)=C1F.

What is the InChIKey of (4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6,8-tetramethyl-9,10-dihydrobenzo[h]quinoline?

The InChIKey is QYPGXYGBCOLYQY-IVWNFOJFSA-N. The full InChI is InChI=1S/C28H36FN/c1-8-11-13-28(16-20(28)10-3)21-15-17(4)25(29)24-23(21)26-22(18(5)27(24,6)7)19(9-2)12-14-30-26/h9,11-14,20-21H,8,10,15-16H2,1-7H3/b13-11?,19-9-.

What are the key properties of (4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6,8-tetramethyl-9,10-dihydrobenzo[h]quinoline?

(4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6,8-tetramethyl-9,10-dihydrobenzo[h]quinoline has a molecular weight of 405.60 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-10-(1-but-1-enyl-2-ethylcyclopropyl)-4-ethylidene-7-fluoro-5,6,6,8-tetramethyl-9,10-dihydrobenzo[h]quinoline is sourced from PubChem (CID 156706395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).