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

C23H25NO3 — CID 10406413

IUPAC10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
SMILESC=CCC1Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C23H25NO3/c1-6-7-17-20-14(21-18(27-17)11-10-16(25)22(21)26-5)8-9-15-19(20)13(2)12-23(3,4)24-15/h6,8-12,17,24-25H,1,7H2,2-5H3
InChIKeyFOSHWESRGNRMBT-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.68
Rot. Bonds3

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

10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol (PubChem CID 10406413) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol.

Molecular Properties

Compound Name10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
PubChem CID10406413
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
SMILESC=CCC1Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C23H25NO3/c1-6-7-17-20-14(21-18(27-17)11-10-16(25)22(21)26-5)8-9-15-19(20)13(2)12-23(3,4)24-15/h6,8-12,17,24-25H,1,7H2,2-5H3
InChIKeyFOSHWESRGNRMBT-UHFFFAOYSA-N
XLogP5.68
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?
The IUPAC name of 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol (CID 10406413) is 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol.
What is the SMILES notation for 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?
The canonical SMILES for 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol is C=CCC1Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3.
What is the InChIKey of 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?
The InChIKey is FOSHWESRGNRMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-6-7-17-20-14(21-18(27-17)11-10-16(25)22(21)26-5)8-9-15-19(20)13(2)12-23(3,4)24-15/h6,8-12,17,24-25H,1,7H2,2-5H3.
What are the key properties of 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?
10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol has a molecular weight of 363.46 g/mol, XLogP of 5.68, 3 rotatable bonds, 2 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-1,5-dihydrochromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 10406413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).