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

C28H33NO2 — CID 74972411

IUPAC5-cyclooct-2-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCOc1cccc2c1-c1ccc3c(c1C(C1C=CCCCCC1)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C28H33NO2/c1-18-17-28(2,3)29-21-16-15-20-25-22(30-4)13-10-14-23(25)31-27(26(20)24(18)21)19-11-8-6-5-7-9-12-19/h8,10-11,13-17,19,27,29H,5-7,9,12H2,1-4H3
InChIKeyNYZPSKBMSBIASN-UHFFFAOYSA-N
MW415.58 g/mol
LogP7.54
Rot. Bonds2

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

5-cyclooct-2-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 74972411) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 5-cyclooct-2-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name5-cyclooct-2-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID74972411
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC Name5-cyclooct-2-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCOc1cccc2c1-c1ccc3c(c1C(C1C=CCCCCC1)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C28H33NO2/c1-18-17-28(2,3)29-21-16-15-20-25-22(30-4)13-10-14-23(25)31-27(26(20)24(18)21)19-11-8-6-5-7-9-12-19/h8,10-11,13-17,19,27,29H,5-7,9,12H2,1-4H3
InChIKeyNYZPSKBMSBIASN-UHFFFAOYSA-N
XLogP7.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

5-(cyclohexen-1-yl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22315040
5-(2-cyclohexylideneethyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 23552301
10-methoxy-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10295228
5-buta-1,3-dien-2-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22314911
10-methoxy-2,2,4-trimethyl-5-(3-methylbut-3-enyl)-1,5-dihydrochromeno[3,4-f]quinoline
CID 10193923
N-methoxy-2-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)-N-methylacetamide
CID 23552307
2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine
CID 22314972
5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10275917
5-cyclopent-3-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
CID 22314860
10-(cyclopropylmethoxy)-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10949091
[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] trifluoromethanesulfonate
CID 22314923
10-methoxy-2,2,4-trimethyl-5-[3-(methylsulfonylmethoxy)phenyl]-1,5-dihydrochromeno[3,4-f]quinoline
CID 22926346

Frequently Asked Questions

What is the IUPAC name of 5-cyclooct-2-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 5-cyclooct-2-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 74972411) is 5-cyclooct-2-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 5-cyclooct-2-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 5-cyclooct-2-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is COc1cccc2c1-c1ccc3c(c1C(C1C=CCCCCC1)O2)C(C)=CC(C)(C)N3.
What is the InChIKey of 5-cyclooct-2-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is NYZPSKBMSBIASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO2/c1-18-17-28(2,3)29-21-16-15-20-25-22(30-4)13-10-14-23(25)31-27(26(20)24(18)21)19-11-8-6-5-7-9-12-19/h8,10-11,13-17,19,27,29H,5-7,9,12H2,1-4H3.
What are the key properties of 5-cyclooct-2-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
5-cyclooct-2-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 415.58 g/mol, XLogP of 7.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclooct-2-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 74972411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).