2-(1-chloro-1-phenylpropyl)quinoline

C18H16ClN — CID 163213076

IUPAC2-(1-chloro-1-phenylpropyl)quinoline
SMILESCCC(Cl)(c1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C18H16ClN/c1-2-18(19,15-9-4-3-5-10-15)17-13-12-14-8-6-7-11-16(14)20-17/h3-13H,2H2,1H3
InChIKeyKOBDQSLHEVAIFK-UHFFFAOYSA-N
MW281.79 g/mol
LogP5.13
Rot. Bonds3

About 2-(1-chloro-1-phenylpropyl)quinoline

2-(1-chloro-1-phenylpropyl)quinoline (PubChem CID 163213076) has the molecular formula C18H16ClN and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-(1-chloro-1-phenylpropyl)quinoline.

Molecular Properties

Compound Name2-(1-chloro-1-phenylpropyl)quinoline
PubChem CID163213076
Molecular FormulaC18H16ClN
Molecular Weight281.79 g/mol
Exact Mass281.10
IUPAC Name2-(1-chloro-1-phenylpropyl)quinoline
SMILESCCC(Cl)(c1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C18H16ClN/c1-2-18(19,15-9-4-3-5-10-15)17-13-12-14-8-6-7-11-16(14)20-17/h3-13H,2H2,1H3
InChIKeyKOBDQSLHEVAIFK-UHFFFAOYSA-N
XLogP5.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.79
LogP ≤ 55.13
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

2-(2-phenylpropan-2-yl)quinoline
CID 151236236
2-[2-chloro-4-(3-chloro-3-quinolin-2-ylbutyl)sulfanylbutan-2-yl]quinoline
CID 70533712
2-tert-butylquinoline;methane
CID 164995315
2-[tris(methylsulfanyl)methyl]quinoline
CID 23583859
2-methyl-2-quinolin-2-ylpropanal
CID 130025083
2-iodoquinoline
CID 159061150
3-benzyl-4-phenyl-3-quinolin-2-ylbutan-2-one
CID 10406546
N-(2-methyl-2-phenylpropyl)quinolin-2-amine
CID 63541485
dichloroplatinum;bis(2-methylquinoline)
CID 50909727
2-diethylsulfonio-1-quinolin-2-ylpropan-1-olate
CID 10039086
2-chlorobutan-2-ylbenzene;ethane
CID 123404536
2-(3-chloroprop-1-en-2-yl)quinoline
CID 54037499

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-1-phenylpropyl)quinoline?
The IUPAC name of 2-(1-chloro-1-phenylpropyl)quinoline (CID 163213076) is 2-(1-chloro-1-phenylpropyl)quinoline.
What is the SMILES notation for 2-(1-chloro-1-phenylpropyl)quinoline?
The canonical SMILES for 2-(1-chloro-1-phenylpropyl)quinoline is CCC(Cl)(c1ccccc1)c1ccc2ccccc2n1.
What is the InChIKey of 2-(1-chloro-1-phenylpropyl)quinoline?
The InChIKey is KOBDQSLHEVAIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN/c1-2-18(19,15-9-4-3-5-10-15)17-13-12-14-8-6-7-11-16(14)20-17/h3-13H,2H2,1H3.
What are the key properties of 2-(1-chloro-1-phenylpropyl)quinoline?
2-(1-chloro-1-phenylpropyl)quinoline has a molecular weight of 281.79 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-1-phenylpropyl)quinoline is sourced from PubChem (CID 163213076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).