2-(3-chloroprop-1-en-2-yl)quinoline

C12H10ClN — CID 54037499

IUPAC2-(3-chloroprop-1-en-2-yl)quinoline
SMILESC=C(CCl)c1ccc2ccccc2n1
InChIInChI=1S/C12H10ClN/c1-9(8-13)11-7-6-10-4-2-3-5-12(10)14-11/h2-7H,1,8H2
InChIKeyLJZPXKPJERFVQO-UHFFFAOYSA-N
MW203.67 g/mol
LogP3.49
Rot. Bonds2

About 2-(3-chloroprop-1-en-2-yl)quinoline

2-(3-chloroprop-1-en-2-yl)quinoline (PubChem CID 54037499) has the molecular formula C12H10ClN and a molecular weight of 203.67 g/mol. Its IUPAC name is 2-(3-chloroprop-1-en-2-yl)quinoline.

Molecular Properties

Compound Name2-(3-chloroprop-1-en-2-yl)quinoline
PubChem CID54037499
Molecular FormulaC12H10ClN
Molecular Weight203.67 g/mol
Exact Mass203.05
IUPAC Name2-(3-chloroprop-1-en-2-yl)quinoline
SMILESC=C(CCl)c1ccc2ccccc2n1
InChIInChI=1S/C12H10ClN/c1-9(8-13)11-7-6-10-4-2-3-5-12(10)14-11/h2-7H,1,8H2
InChIKeyLJZPXKPJERFVQO-UHFFFAOYSA-N
XLogP3.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-quinolin-2-ylbut-3-en-1-one
CID 79177139
N-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide
CID 114297702
copper;quinoline-2-carboxylic acid
CID 68537473
europium;quinoline-2-carboxylic acid
CID 87730482
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
2-amino-1-quinolin-2-ylethanone
CID 23532024
(E)-1-quinolin-2-yl-N-[2-[[(E)-1-quinolin-2-ylethylideneamino]oxymethyl]prop-2-enoxy]ethanimine
CID 25265136
2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]quinoline
CID 155373774
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
copper(1+);quinoline-2-carboxylate
CID 159046158
chromium(3+);tris(quinoline-2-carboxylate)
CID 86616048
tris(quinoline-2-carboxylate);ruthenium(3+)
CID 15777317

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroprop-1-en-2-yl)quinoline?
The IUPAC name of 2-(3-chloroprop-1-en-2-yl)quinoline (CID 54037499) is 2-(3-chloroprop-1-en-2-yl)quinoline.
What is the SMILES notation for 2-(3-chloroprop-1-en-2-yl)quinoline?
The canonical SMILES for 2-(3-chloroprop-1-en-2-yl)quinoline is C=C(CCl)c1ccc2ccccc2n1.
What is the InChIKey of 2-(3-chloroprop-1-en-2-yl)quinoline?
The InChIKey is LJZPXKPJERFVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN/c1-9(8-13)11-7-6-10-4-2-3-5-12(10)14-11/h2-7H,1,8H2.
What are the key properties of 2-(3-chloroprop-1-en-2-yl)quinoline?
2-(3-chloroprop-1-en-2-yl)quinoline has a molecular weight of 203.67 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroprop-1-en-2-yl)quinoline is sourced from PubChem (CID 54037499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).