10-methoxy-2,2,4-trimethyl-5-(3-methylbut-3-enyl)-1,5-dihydrochromeno[3,4-f]quinoline

C25H29NO2 — CID 10193923

About 10-methoxy-2,2,4-trimethyl-5-(3-methylbut-3-enyl)-1,5-dihydrochromeno[3,4-f]quinoline

10-methoxy-2,2,4-trimethyl-5-(3-methylbut-3-enyl)-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 10193923) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is 10-methoxy-2,2,4-trimethyl-5-(3-methylbut-3-enyl)-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

• Compound Name: 10-methoxy-2,2,4-trimethyl-5-(3-methylbut-3-enyl)-1,5-dihydrochromeno[3,4-f]quinoline
• PubChem CID: 10193923
• Molecular Formula: C25H29NO2
• Molecular Weight: 375.51 g/mol
• Exact Mass: 375.22
• IUPAC Name: 10-methoxy-2,2,4-trimethyl-5-(3-methylbut-3-enyl)-1,5-dihydrochromeno[3,4-f]quinoline
• SMILES: C=C(C)CCC1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
• InChI: InChI=1S/C25H29NO2/c1-15(2)10-13-21-24-17(23-19(27-6)8-7-9-20(23)28-21)11-12-18-22(24)16(3)14-25(4,5)26-18/h7-9,11-12,14,21,26H,1,10,13H2,2-6H3
• InChIKey: HIOYBADMRCXXFB-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	375.51
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-2,2,4-trimethyl-5-(3-methylbut-3-enyl)-1,5-dihydrochromeno[3,4-f]quinoline?

The IUPAC name of 10-methoxy-2,2,4-trimethyl-5-(3-methylbut-3-enyl)-1,5-dihydrochromeno[3,4-f]quinoline (CID 10193923) is 10-methoxy-2,2,4-trimethyl-5-(3-methylbut-3-enyl)-1,5-dihydrochromeno[3,4-f]quinoline.

What is the SMILES notation for 10-methoxy-2,2,4-trimethyl-5-(3-methylbut-3-enyl)-1,5-dihydrochromeno[3,4-f]quinoline?

The canonical SMILES for 10-methoxy-2,2,4-trimethyl-5-(3-methylbut-3-enyl)-1,5-dihydrochromeno[3,4-f]quinoline is C=C(C)CCC1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3.

What is the InChIKey of 10-methoxy-2,2,4-trimethyl-5-(3-methylbut-3-enyl)-1,5-dihydrochromeno[3,4-f]quinoline?

The InChIKey is HIOYBADMRCXXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-15(2)10-13-21-24-17(23-19(27-6)8-7-9-20(23)28-21)11-12-18-22(24)16(3)14-25(4,5)26-18/h7-9,11-12,14,21,26H,1,10,13H2,2-6H3.

What are the key properties of 10-methoxy-2,2,4-trimethyl-5-(3-methylbut-3-enyl)-1,5-dihydrochromeno[3,4-f]quinoline?

10-methoxy-2,2,4-trimethyl-5-(3-methylbut-3-enyl)-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 375.51 g/mol, XLogP of 6.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-methoxy-2,2,4-trimethyl-5-(3-methylbut-3-enyl)-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 10193923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).