4-methoxy-3-[(E)-2-methoxyprop-1-enyl]-1,2,4-trimethyl-4a,8a-dihydroquinoline

C17H25NO2 — CID 126606624

IUPAC4-methoxy-3-[(E)-2-methoxyprop-1-enyl]-1,2,4-trimethyl-4a,8a-dihydroquinoline
SMILESCO/C(C)=C/C1=C(C)N(C)C2C=CC=CC2C1(C)OC
InChIInChI=1S/C17H25NO2/c1-12(19-5)11-15-13(2)18(4)16-10-8-7-9-14(16)17(15,3)20-6/h7-11,14,16H,1-6H3/b12-11+
InChIKeyYHHYEUIIJVMURT-VAWYXSNFSA-N
MW275.39 g/mol
LogP3.27
Rot. Bonds3

About 4-methoxy-3-[(E)-2-methoxyprop-1-enyl]-1,2,4-trimethyl-4a,8a-dihydroquinoline

4-methoxy-3-[(E)-2-methoxyprop-1-enyl]-1,2,4-trimethyl-4a,8a-dihydroquinoline (PubChem CID 126606624) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-methoxy-3-[(E)-2-methoxyprop-1-enyl]-1,2,4-trimethyl-4a,8a-dihydroquinoline.

Molecular Properties

Compound Name4-methoxy-3-[(E)-2-methoxyprop-1-enyl]-1,2,4-trimethyl-4a,8a-dihydroquinoline
PubChem CID126606624
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-methoxy-3-[(E)-2-methoxyprop-1-enyl]-1,2,4-trimethyl-4a,8a-dihydroquinoline
SMILESCO/C(C)=C/C1=C(C)N(C)C2C=CC=CC2C1(C)OC
InChIInChI=1S/C17H25NO2/c1-12(19-5)11-15-13(2)18(4)16-10-8-7-9-14(16)17(15,3)20-6/h7-11,14,16H,1-6H3/b12-11+
InChIKeyYHHYEUIIJVMURT-VAWYXSNFSA-N
XLogP3.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(E)-2-methoxyprop-1-enyl]-1,2,4-trimethyl-4a,8a-dihydroquinoline?
The IUPAC name of 4-methoxy-3-[(E)-2-methoxyprop-1-enyl]-1,2,4-trimethyl-4a,8a-dihydroquinoline (CID 126606624) is 4-methoxy-3-[(E)-2-methoxyprop-1-enyl]-1,2,4-trimethyl-4a,8a-dihydroquinoline.
What is the SMILES notation for 4-methoxy-3-[(E)-2-methoxyprop-1-enyl]-1,2,4-trimethyl-4a,8a-dihydroquinoline?
The canonical SMILES for 4-methoxy-3-[(E)-2-methoxyprop-1-enyl]-1,2,4-trimethyl-4a,8a-dihydroquinoline is CO/C(C)=C/C1=C(C)N(C)C2C=CC=CC2C1(C)OC.
What is the InChIKey of 4-methoxy-3-[(E)-2-methoxyprop-1-enyl]-1,2,4-trimethyl-4a,8a-dihydroquinoline?
The InChIKey is YHHYEUIIJVMURT-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(19-5)11-15-13(2)18(4)16-10-8-7-9-14(16)17(15,3)20-6/h7-11,14,16H,1-6H3/b12-11+.
What are the key properties of 4-methoxy-3-[(E)-2-methoxyprop-1-enyl]-1,2,4-trimethyl-4a,8a-dihydroquinoline?
4-methoxy-3-[(E)-2-methoxyprop-1-enyl]-1,2,4-trimethyl-4a,8a-dihydroquinoline has a molecular weight of 275.39 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(E)-2-methoxyprop-1-enyl]-1,2,4-trimethyl-4a,8a-dihydroquinoline is sourced from PubChem (CID 126606624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).