4-chloro-7-(3-phenylpropoxy)quinoline

C18H16ClNO — CID 78324295

IUPAC4-chloro-7-(3-phenylpropoxy)quinoline
SMILESClc1ccnc2cc(OCCCc3ccccc3)ccc12
InChIInChI=1S/C18H16ClNO/c19-17-10-11-20-18-13-15(8-9-16(17)18)21-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2
InChIKeyFKKRUSFBRAEPDO-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.90
Rot. Bonds5

About 4-chloro-7-(3-phenylpropoxy)quinoline

4-chloro-7-(3-phenylpropoxy)quinoline (PubChem CID 78324295) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-chloro-7-(3-phenylpropoxy)quinoline.

Molecular Properties

Compound Name4-chloro-7-(3-phenylpropoxy)quinoline
PubChem CID78324295
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name4-chloro-7-(3-phenylpropoxy)quinoline
SMILESClc1ccnc2cc(OCCCc3ccccc3)ccc12
InChIInChI=1S/C18H16ClNO/c19-17-10-11-20-18-13-15(8-9-16(17)18)21-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2
InChIKeyFKKRUSFBRAEPDO-UHFFFAOYSA-N
XLogP4.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(3-phenylpropoxy)quinoline?
The IUPAC name of 4-chloro-7-(3-phenylpropoxy)quinoline (CID 78324295) is 4-chloro-7-(3-phenylpropoxy)quinoline.
What is the SMILES notation for 4-chloro-7-(3-phenylpropoxy)quinoline?
The canonical SMILES for 4-chloro-7-(3-phenylpropoxy)quinoline is Clc1ccnc2cc(OCCCc3ccccc3)ccc12.
What is the InChIKey of 4-chloro-7-(3-phenylpropoxy)quinoline?
The InChIKey is FKKRUSFBRAEPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c19-17-10-11-20-18-13-15(8-9-16(17)18)21-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2.
What are the key properties of 4-chloro-7-(3-phenylpropoxy)quinoline?
4-chloro-7-(3-phenylpropoxy)quinoline has a molecular weight of 297.79 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(3-phenylpropoxy)quinoline is sourced from PubChem (CID 78324295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).