10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-9-prop-2-ynoxy-1,5-dihydrochromeno[3,4-f]quinoline

C26H27NO3 — CID 10272405

IUPAC10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-9-prop-2-ynoxy-1,5-dihydrochromeno[3,4-f]quinoline
SMILESC#CCOc1ccc2c(c1OC)-c1ccc3c(c1C(CC=C)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C26H27NO3/c1-7-9-19-23-17(10-11-18-22(23)16(3)15-26(4,5)27-18)24-20(30-19)12-13-21(25(24)28-6)29-14-8-2/h2,7,10-13,15,19,27H,1,9,14H2,3-6H3
InChIKeyBBNUFIDEQWMAMG-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.99
Rot. Bonds5

About 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-9-prop-2-ynoxy-1,5-dihydrochromeno[3,4-f]quinoline

10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-9-prop-2-ynoxy-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 10272405) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-9-prop-2-ynoxy-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-9-prop-2-ynoxy-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID10272405
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-9-prop-2-ynoxy-1,5-dihydrochromeno[3,4-f]quinoline
SMILESC#CCOc1ccc2c(c1OC)-c1ccc3c(c1C(CC=C)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C26H27NO3/c1-7-9-19-23-17(10-11-18-22(23)16(3)15-26(4,5)27-18)24-20(30-19)12-13-21(25(24)28-6)29-14-8-2/h2,7,10-13,15,19,27H,1,9,14H2,3-6H3
InChIKeyBBNUFIDEQWMAMG-UHFFFAOYSA-N
XLogP5.99
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-9-prop-2-ynoxy-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-9-prop-2-ynoxy-1,5-dihydrochromeno[3,4-f]quinoline (CID 10272405) is 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-9-prop-2-ynoxy-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-9-prop-2-ynoxy-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-9-prop-2-ynoxy-1,5-dihydrochromeno[3,4-f]quinoline is C#CCOc1ccc2c(c1OC)-c1ccc3c(c1C(CC=C)O2)C(C)=CC(C)(C)N3.
What is the InChIKey of 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-9-prop-2-ynoxy-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is BBNUFIDEQWMAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c1-7-9-19-23-17(10-11-18-22(23)16(3)15-26(4,5)27-18)24-20(30-19)12-13-21(25(24)28-6)29-14-8-2/h2,7,10-13,15,19,27H,1,9,14H2,3-6H3.
What are the key properties of 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-9-prop-2-ynoxy-1,5-dihydrochromeno[3,4-f]quinoline?
10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-9-prop-2-ynoxy-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 401.51 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-9-prop-2-ynoxy-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 10272405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).