1-[(2E,4Z)-2,3-dimethylhepta-2,4,6-trienyl]-7-methyl-3,4-dihydro-2H-quinoline

C19H25N — CID 118519008

IUPAC1-[(2E,4Z)-2,3-dimethylhepta-2,4,6-trienyl]-7-methyl-3,4-dihydro-2H-quinoline
SMILESC=C/C=C\C(C)=C(/C)CN1CCCc2ccc(C)cc21
InChIInChI=1S/C19H25N/c1-5-6-8-16(3)17(4)14-20-12-7-9-18-11-10-15(2)13-19(18)20/h5-6,8,10-11,13H,1,7,9,12,14H2,2-4H3/b8-6-,17-16+
InChIKeyBFCDSNMPYXRFRG-ZWKHAXJNSA-N
MW267.42 g/mol
LogP4.83
Rot. Bonds4

About 1-[(2E,4Z)-2,3-dimethylhepta-2,4,6-trienyl]-7-methyl-3,4-dihydro-2H-quinoline

1-[(2E,4Z)-2,3-dimethylhepta-2,4,6-trienyl]-7-methyl-3,4-dihydro-2H-quinoline (PubChem CID 118519008) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[(2E,4Z)-2,3-dimethylhepta-2,4,6-trienyl]-7-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(2E,4Z)-2,3-dimethylhepta-2,4,6-trienyl]-7-methyl-3,4-dihydro-2H-quinoline
PubChem CID118519008
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name1-[(2E,4Z)-2,3-dimethylhepta-2,4,6-trienyl]-7-methyl-3,4-dihydro-2H-quinoline
SMILESC=C/C=C\C(C)=C(/C)CN1CCCc2ccc(C)cc21
InChIInChI=1S/C19H25N/c1-5-6-8-16(3)17(4)14-20-12-7-9-18-11-10-15(2)13-19(18)20/h5-6,8,10-11,13H,1,7,9,12,14H2,2-4H3/b8-6-,17-16+
InChIKeyBFCDSNMPYXRFRG-ZWKHAXJNSA-N
XLogP4.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-2,3-dimethylhepta-2,4,6-trienyl]-7-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(2E,4Z)-2,3-dimethylhepta-2,4,6-trienyl]-7-methyl-3,4-dihydro-2H-quinoline (CID 118519008) is 1-[(2E,4Z)-2,3-dimethylhepta-2,4,6-trienyl]-7-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(2E,4Z)-2,3-dimethylhepta-2,4,6-trienyl]-7-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(2E,4Z)-2,3-dimethylhepta-2,4,6-trienyl]-7-methyl-3,4-dihydro-2H-quinoline is C=C/C=C\C(C)=C(/C)CN1CCCc2ccc(C)cc21.
What is the InChIKey of 1-[(2E,4Z)-2,3-dimethylhepta-2,4,6-trienyl]-7-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is BFCDSNMPYXRFRG-ZWKHAXJNSA-N. The full InChI is InChI=1S/C19H25N/c1-5-6-8-16(3)17(4)14-20-12-7-9-18-11-10-15(2)13-19(18)20/h5-6,8,10-11,13H,1,7,9,12,14H2,2-4H3/b8-6-,17-16+.
What are the key properties of 1-[(2E,4Z)-2,3-dimethylhepta-2,4,6-trienyl]-7-methyl-3,4-dihydro-2H-quinoline?
1-[(2E,4Z)-2,3-dimethylhepta-2,4,6-trienyl]-7-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 267.42 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-2,3-dimethylhepta-2,4,6-trienyl]-7-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 118519008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).