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

C26H29NO2 — CID 10949091

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

10-(cyclopropylmethoxy)-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 10949091) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 10-(cyclopropylmethoxy)-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

• Compound Name: 10-(cyclopropylmethoxy)-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline
• PubChem CID: 10949091
• Molecular Formula: C26H29NO2
• Molecular Weight: 387.52 g/mol
• Exact Mass: 387.22
• IUPAC Name: 10-(cyclopropylmethoxy)-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline
• SMILES: C=CCC1Oc2cccc(OCC3CC3)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
• InChI: InChI=1S/C26H29NO2/c1-5-7-21-25-18(12-13-19-23(25)16(2)14-26(3,4)27-19)24-20(28-15-17-10-11-17)8-6-9-22(24)29-21/h5-6,8-9,12-14,17,21,27H,1,7,10-11,15H2,2-4H3
• InChIKey: SIDMSDWMVNNYDB-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.52
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-(cyclopropylmethoxy)-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline?

The IUPAC name of 10-(cyclopropylmethoxy)-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 10949091) is 10-(cyclopropylmethoxy)-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline.

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

The canonical SMILES for 10-(cyclopropylmethoxy)-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline is C=CCC1Oc2cccc(OCC3CC3)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3.

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

The InChIKey is SIDMSDWMVNNYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-5-7-21-25-18(12-13-19-23(25)16(2)14-26(3,4)27-19)24-20(28-15-17-10-11-17)8-6-9-22(24)29-21/h5-6,8-9,12-14,17,21,27H,1,7,10-11,15H2,2-4H3.

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

10-(cyclopropylmethoxy)-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 387.52 g/mol, XLogP of 6.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(cyclopropylmethoxy)-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 10949091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).