5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

C24H25NO2 — CID 22314911

IUPAC5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESC=CC(=C)C1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C24H25NO2/c1-7-14(2)23-22-16(21-18(26-6)9-8-10-19(21)27-23)11-12-17-20(22)15(3)13-24(4,5)25-17/h7-13,23,25H,1-2H2,3-6H3
InChIKeyBPLUVDWQDWLFAO-UHFFFAOYSA-N
MW359.47 g/mol
LogP6.15
Rot. Bonds3

About 5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 22314911) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID22314911
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESC=CC(=C)C1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C24H25NO2/c1-7-14(2)23-22-16(21-18(26-6)9-8-10-19(21)27-23)11-12-17-20(22)15(3)13-24(4,5)25-17/h7-13,23,25H,1-2H2,3-6H3
InChIKeyBPLUVDWQDWLFAO-UHFFFAOYSA-N
XLogP6.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline with MolForge

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Related Compounds

10-methoxy-2,2,4-trimethyl-5-(3-methylbut-3-enyl)-1,5-dihydrochromeno[3,4-f]quinoline
CID 10193923
10-methoxy-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10295228
N-methoxy-2-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)-N-methylacetamide
CID 23552307
5-(2-cyclohexylideneethyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 23552301
5-(cyclohexen-1-yl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22315040
5-cyclooct-2-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 74972411
2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine
CID 22314972
(5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 22314988
10-methoxy-2,2,4-trimethyl-5-[3-(methylsulfonylmethoxy)phenyl]-1,5-dihydrochromeno[3,4-f]quinoline
CID 22926346
10-(cyclopropylmethoxy)-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10949091
5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10275917
[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] trifluoromethanesulfonate
CID 22314923

Frequently Asked Questions

What is the IUPAC name of 5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 22314911) is 5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is C=CC(=C)C1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3.
What is the InChIKey of 5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is BPLUVDWQDWLFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-7-14(2)23-22-16(21-18(26-6)9-8-10-19(21)27-23)11-12-17-20(22)15(3)13-24(4,5)25-17/h7-13,23,25H,1-2H2,3-6H3.
What are the key properties of 5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 359.47 g/mol, XLogP of 6.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 22314911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).