4-tert-butyl-8-chloroquinoline

C13H14ClN — CID 59637005

IUPAC4-tert-butyl-8-chloroquinoline
SMILESCC(C)(C)c1ccnc2c(Cl)cccc12
InChIInChI=1S/C13H14ClN/c1-13(2,3)10-7-8-15-12-9(10)5-4-6-11(12)14/h4-8H,1-3H3
InChIKeyIVGKSNNWKRCIIV-UHFFFAOYSA-N
MW219.72 g/mol
LogP4.19
Rot. Bonds

About 4-tert-butyl-8-chloroquinoline

4-tert-butyl-8-chloroquinoline (PubChem CID 59637005) has the molecular formula C13H14ClN and a molecular weight of 219.72 g/mol. Its IUPAC name is 4-tert-butyl-8-chloroquinoline.

Molecular Properties

Compound Name4-tert-butyl-8-chloroquinoline
PubChem CID59637005
Molecular FormulaC13H14ClN
Molecular Weight219.72 g/mol
Exact Mass219.08
IUPAC Name4-tert-butyl-8-chloroquinoline
SMILESCC(C)(C)c1ccnc2c(Cl)cccc12
InChIInChI=1S/C13H14ClN/c1-13(2,3)10-7-8-15-12-9(10)5-4-6-11(12)14/h4-8H,1-3H3
InChIKeyIVGKSNNWKRCIIV-UHFFFAOYSA-N
XLogP4.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-8-chloroquinoline?
The IUPAC name of 4-tert-butyl-8-chloroquinoline (CID 59637005) is 4-tert-butyl-8-chloroquinoline.
What is the SMILES notation for 4-tert-butyl-8-chloroquinoline?
The canonical SMILES for 4-tert-butyl-8-chloroquinoline is CC(C)(C)c1ccnc2c(Cl)cccc12.
What is the InChIKey of 4-tert-butyl-8-chloroquinoline?
The InChIKey is IVGKSNNWKRCIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN/c1-13(2,3)10-7-8-15-12-9(10)5-4-6-11(12)14/h4-8H,1-3H3.
What are the key properties of 4-tert-butyl-8-chloroquinoline?
4-tert-butyl-8-chloroquinoline has a molecular weight of 219.72 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-8-chloroquinoline is sourced from PubChem (CID 59637005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).