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

C13H16ClN — CID 77051840

IUPAC1-(4-chlorobut-2-enyl)-3,4-dihydro-2H-quinoline
SMILESClCC=CCN1CCCc2ccccc21
InChIInChI=1S/C13H16ClN/c14-9-3-4-10-15-11-5-7-12-6-1-2-8-13(12)15/h1-4,6,8H,5,7,9-11H2
InChIKeyAWXRWTOCOIBEEQ-UHFFFAOYSA-N
MW221.73 g/mol
LogP3.23
Rot. Bonds3

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

1-(4-chlorobut-2-enyl)-3,4-dihydro-2H-quinoline (PubChem CID 77051840) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 1-(4-chlorobut-2-enyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(4-chlorobut-2-enyl)-3,4-dihydro-2H-quinoline
PubChem CID77051840
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name1-(4-chlorobut-2-enyl)-3,4-dihydro-2H-quinoline
SMILESClCC=CCN1CCCc2ccccc21
InChIInChI=1S/C13H16ClN/c14-9-3-4-10-15-11-5-7-12-6-1-2-8-13(12)15/h1-4,6,8H,5,7,9-11H2
InChIKeyAWXRWTOCOIBEEQ-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoroprop-2-enyl)-2,3-dihydroindole
CID 175249463
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
3,4-dihydro-2H-quinolin-1-ylmethyl formate
CID 174811970
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
1-(cyclopentylmethyl)-3,4-dihydro-2H-quinoline
CID 82078705
2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)but-2-enoic acid
CID 77074124
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595
3,4-dihydro-2H-quinolin-1-ylmethanesulfinate
CID 174943976
1-oxido-3,4-dihydro-2H-quinoline
CID 18542548
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 15488047
8-(3,4-dihydro-2H-quinolin-1-yl)octan-1-amine
CID 13472131

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobut-2-enyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(4-chlorobut-2-enyl)-3,4-dihydro-2H-quinoline (CID 77051840) is 1-(4-chlorobut-2-enyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(4-chlorobut-2-enyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(4-chlorobut-2-enyl)-3,4-dihydro-2H-quinoline is ClCC=CCN1CCCc2ccccc21.
What is the InChIKey of 1-(4-chlorobut-2-enyl)-3,4-dihydro-2H-quinoline?
The InChIKey is AWXRWTOCOIBEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN/c14-9-3-4-10-15-11-5-7-12-6-1-2-8-13(12)15/h1-4,6,8H,5,7,9-11H2.
What are the key properties of 1-(4-chlorobut-2-enyl)-3,4-dihydro-2H-quinoline?
1-(4-chlorobut-2-enyl)-3,4-dihydro-2H-quinoline has a molecular weight of 221.73 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobut-2-enyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 77051840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).