1,2,3-tris(prop-2-enyl)-3,4-dihydro-2H-quinoline

C18H23N — CID 173393107

IUPAC1,2,3-tris(prop-2-enyl)-3,4-dihydro-2H-quinoline
SMILESC=CCC1Cc2ccccc2N(CC=C)C1CC=C
InChIInChI=1S/C18H23N/c1-4-9-15-14-16-11-7-8-12-18(16)19(13-6-3)17(15)10-5-2/h4-8,11-12,15,17H,1-3,9-10,13-14H2
InChIKeyRAABKSOVHXWYSU-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.37
Rot. Bonds6

About 1,2,3-tris(prop-2-enyl)-3,4-dihydro-2H-quinoline

1,2,3-tris(prop-2-enyl)-3,4-dihydro-2H-quinoline (PubChem CID 173393107) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1,2,3-tris(prop-2-enyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1,2,3-tris(prop-2-enyl)-3,4-dihydro-2H-quinoline
PubChem CID173393107
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1,2,3-tris(prop-2-enyl)-3,4-dihydro-2H-quinoline
SMILESC=CCC1Cc2ccccc2N(CC=C)C1CC=C
InChIInChI=1S/C18H23N/c1-4-9-15-14-16-11-7-8-12-18(16)19(13-6-3)17(15)10-5-2/h4-8,11-12,15,17H,1-3,9-10,13-14H2
InChIKeyRAABKSOVHXWYSU-UHFFFAOYSA-N
XLogP4.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(prop-2-enyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1,2,3-tris(prop-2-enyl)-3,4-dihydro-2H-quinoline (CID 173393107) is 1,2,3-tris(prop-2-enyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1,2,3-tris(prop-2-enyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1,2,3-tris(prop-2-enyl)-3,4-dihydro-2H-quinoline is C=CCC1Cc2ccccc2N(CC=C)C1CC=C.
What is the InChIKey of 1,2,3-tris(prop-2-enyl)-3,4-dihydro-2H-quinoline?
The InChIKey is RAABKSOVHXWYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-9-15-14-16-11-7-8-12-18(16)19(13-6-3)17(15)10-5-2/h4-8,11-12,15,17H,1-3,9-10,13-14H2.
What are the key properties of 1,2,3-tris(prop-2-enyl)-3,4-dihydro-2H-quinoline?
1,2,3-tris(prop-2-enyl)-3,4-dihydro-2H-quinoline has a molecular weight of 253.39 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(prop-2-enyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 173393107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).