2-[2-chloro-4-(oxan-2-yl)butyl]quinoline

C18H22ClNO — CID 66460957

IUPAC2-[2-chloro-4-(oxan-2-yl)butyl]quinoline
SMILESClC(CCC1CCCCO1)Cc1ccc2ccccc2n1
InChIInChI=1S/C18H22ClNO/c19-15(9-11-17-6-3-4-12-21-17)13-16-10-8-14-5-1-2-7-18(14)20-16/h1-2,5,7-8,10,15,17H,3-4,6,9,11-13H2
InChIKeyBPZCFLQANNNFQJ-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.73
Rot. Bonds5

About 2-[2-chloro-4-(oxan-2-yl)butyl]quinoline

2-[2-chloro-4-(oxan-2-yl)butyl]quinoline (PubChem CID 66460957) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-[2-chloro-4-(oxan-2-yl)butyl]quinoline.

Molecular Properties

Compound Name2-[2-chloro-4-(oxan-2-yl)butyl]quinoline
PubChem CID66460957
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-[2-chloro-4-(oxan-2-yl)butyl]quinoline
SMILESClC(CCC1CCCCO1)Cc1ccc2ccccc2n1
InChIInChI=1S/C18H22ClNO/c19-15(9-11-17-6-3-4-12-21-17)13-16-10-8-14-5-1-2-7-18(14)20-16/h1-2,5,7-8,10,15,17H,3-4,6,9,11-13H2
InChIKeyBPZCFLQANNNFQJ-UHFFFAOYSA-N
XLogP4.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-3-cycloheptylpropyl)quinoline
CID 114459396
2-(2-chloro-3-cyclobutylpropyl)quinoline
CID 103167493
N-ethyl-3-(oxolan-2-yl)-1-quinolin-2-ylpropan-1-amine
CID 65164311
[1-(oxolan-2-yl)-2-quinolin-2-ylethyl]hydrazine
CID 105228979
N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 133271800
N-methyl-3-(oxolan-2-yl)-1-quinolin-3-ylpropan-1-amine
CID 115797860
4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol
CID 66459685
2-[2-(oxiran-2-yl)ethyl]quinoline
CID 115410457
2-(oxan-2-ylmethyl)quinazoline
CID 123458550
3-(oxan-2-yl)-1-quinolin-3-ylpropan-1-one
CID 114963138
1-cyclopropyl-2-quinolin-2-ylethanol
CID 63353009
4-(oxolan-2-yl)-1-phenylbutan-2-ol
CID 65162186

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(oxan-2-yl)butyl]quinoline?
The IUPAC name of 2-[2-chloro-4-(oxan-2-yl)butyl]quinoline (CID 66460957) is 2-[2-chloro-4-(oxan-2-yl)butyl]quinoline.
What is the SMILES notation for 2-[2-chloro-4-(oxan-2-yl)butyl]quinoline?
The canonical SMILES for 2-[2-chloro-4-(oxan-2-yl)butyl]quinoline is ClC(CCC1CCCCO1)Cc1ccc2ccccc2n1.
What is the InChIKey of 2-[2-chloro-4-(oxan-2-yl)butyl]quinoline?
The InChIKey is BPZCFLQANNNFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c19-15(9-11-17-6-3-4-12-21-17)13-16-10-8-14-5-1-2-7-18(14)20-16/h1-2,5,7-8,10,15,17H,3-4,6,9,11-13H2.
What are the key properties of 2-[2-chloro-4-(oxan-2-yl)butyl]quinoline?
2-[2-chloro-4-(oxan-2-yl)butyl]quinoline has a molecular weight of 303.83 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(oxan-2-yl)butyl]quinoline is sourced from PubChem (CID 66460957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).