8-chloro-4-(3-phenylpropyl)quinoline

C18H16ClN — CID 19094102

IUPAC8-chloro-4-(3-phenylpropyl)quinoline
SMILESClc1cccc2c(CCCc3ccccc3)ccnc12
InChIInChI=1S/C18H16ClN/c19-17-11-5-10-16-15(12-13-20-18(16)17)9-4-8-14-6-2-1-3-7-14/h1-3,5-7,10-13H,4,8-9H2
InChIKeyKACFUNJZODRJHX-UHFFFAOYSA-N
MW281.79 g/mol
LogP5.06
Rot. Bonds4

About 8-chloro-4-(3-phenylpropyl)quinoline

8-chloro-4-(3-phenylpropyl)quinoline (PubChem CID 19094102) has the molecular formula C18H16ClN and a molecular weight of 281.79 g/mol. Its IUPAC name is 8-chloro-4-(3-phenylpropyl)quinoline.

Molecular Properties

Compound Name8-chloro-4-(3-phenylpropyl)quinoline
PubChem CID19094102
Molecular FormulaC18H16ClN
Molecular Weight281.79 g/mol
Exact Mass281.10
IUPAC Name8-chloro-4-(3-phenylpropyl)quinoline
SMILESClc1cccc2c(CCCc3ccccc3)ccnc12
InChIInChI=1S/C18H16ClN/c19-17-11-5-10-16-15(12-13-20-18(16)17)9-4-8-14-6-2-1-3-7-14/h1-3,5-7,10-13H,4,8-9H2
InChIKeyKACFUNJZODRJHX-UHFFFAOYSA-N
XLogP5.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.79
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(3-phenylpropyl)quinoline?
The IUPAC name of 8-chloro-4-(3-phenylpropyl)quinoline (CID 19094102) is 8-chloro-4-(3-phenylpropyl)quinoline.
What is the SMILES notation for 8-chloro-4-(3-phenylpropyl)quinoline?
The canonical SMILES for 8-chloro-4-(3-phenylpropyl)quinoline is Clc1cccc2c(CCCc3ccccc3)ccnc12.
What is the InChIKey of 8-chloro-4-(3-phenylpropyl)quinoline?
The InChIKey is KACFUNJZODRJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN/c19-17-11-5-10-16-15(12-13-20-18(16)17)9-4-8-14-6-2-1-3-7-14/h1-3,5-7,10-13H,4,8-9H2.
What are the key properties of 8-chloro-4-(3-phenylpropyl)quinoline?
8-chloro-4-(3-phenylpropyl)quinoline has a molecular weight of 281.79 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(3-phenylpropyl)quinoline is sourced from PubChem (CID 19094102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).