7-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methoxy-1,8a-dihydroquinoline

C19H21NO — CID 143382034

IUPAC7-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methoxy-1,8a-dihydroquinoline
SMILESC=CC1=CC2NC(/C(C=C)=C/C=C\C)=CC(OC)=C2C=C1
InChIInChI=1S/C19H21NO/c1-5-8-9-15(7-3)17-13-19(21-4)16-11-10-14(6-2)12-18(16)20-17/h5-13,18,20H,2-3H2,1,4H3/b8-5-,15-9+
InChIKeyZSXAYLSYEFLITR-HAVFLYGMSA-N
MW279.38 g/mol
LogP4.11
Rot. Bonds5

About 7-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methoxy-1,8a-dihydroquinoline

7-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methoxy-1,8a-dihydroquinoline (PubChem CID 143382034) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 7-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methoxy-1,8a-dihydroquinoline.

Molecular Properties

Compound Name7-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methoxy-1,8a-dihydroquinoline
PubChem CID143382034
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name7-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methoxy-1,8a-dihydroquinoline
SMILESC=CC1=CC2NC(/C(C=C)=C/C=C\C)=CC(OC)=C2C=C1
InChIInChI=1S/C19H21NO/c1-5-8-9-15(7-3)17-13-19(21-4)16-11-10-14(6-2)12-18(16)20-17/h5-13,18,20H,2-3H2,1,4H3/b8-5-,15-9+
InChIKeyZSXAYLSYEFLITR-HAVFLYGMSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methoxy-1,8a-dihydroquinoline?
The IUPAC name of 7-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methoxy-1,8a-dihydroquinoline (CID 143382034) is 7-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methoxy-1,8a-dihydroquinoline.
What is the SMILES notation for 7-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methoxy-1,8a-dihydroquinoline?
The canonical SMILES for 7-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methoxy-1,8a-dihydroquinoline is C=CC1=CC2NC(/C(C=C)=C/C=C\C)=CC(OC)=C2C=C1.
What is the InChIKey of 7-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methoxy-1,8a-dihydroquinoline?
The InChIKey is ZSXAYLSYEFLITR-HAVFLYGMSA-N. The full InChI is InChI=1S/C19H21NO/c1-5-8-9-15(7-3)17-13-19(21-4)16-11-10-14(6-2)12-18(16)20-17/h5-13,18,20H,2-3H2,1,4H3/b8-5-,15-9+.
What are the key properties of 7-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methoxy-1,8a-dihydroquinoline?
7-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methoxy-1,8a-dihydroquinoline has a molecular weight of 279.38 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methoxy-1,8a-dihydroquinoline is sourced from PubChem (CID 143382034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).