8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline

C10H12ClN — CID 83636279

IUPAC8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCNc2c(Cl)cccc21
InChIInChI=1S/C10H12ClN/c1-7-5-6-12-10-8(7)3-2-4-9(10)11/h2-4,7,12H,5-6H2,1H3
InChIKeyFSLYQMPEIGCQOC-UHFFFAOYSA-N
MW181.67 g/mol
LogP3.26
Rot. Bonds

About 8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline

8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 83636279) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID83636279
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCNc2c(Cl)cccc21
InChIInChI=1S/C10H12ClN/c1-7-5-6-12-10-8(7)3-2-4-9(10)11/h2-4,7,12H,5-6H2,1H3
InChIKeyFSLYQMPEIGCQOC-UHFFFAOYSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline (CID 83636279) is 8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline is CC1CCNc2c(Cl)cccc21.
What is the InChIKey of 8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is FSLYQMPEIGCQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c1-7-5-6-12-10-8(7)3-2-4-9(10)11/h2-4,7,12H,5-6H2,1H3.
What are the key properties of 8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline?
8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 181.67 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 83636279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).