4-chloro-2-methyl-6,7,8,8a-tetrahydroquinoline

C10H12ClN — CID 67759432

IUPAC4-chloro-2-methyl-6,7,8,8a-tetrahydroquinoline
SMILESCC1=NC2CCCC=C2C(Cl)=C1
InChIInChI=1S/C10H12ClN/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h4,6,10H,2-3,5H2,1H3
InChIKeyNLJZRYPKTHYHHP-UHFFFAOYSA-N
MW181.67 g/mol
LogP3.06
Rot. Bonds

About 4-chloro-2-methyl-6,7,8,8a-tetrahydroquinoline

4-chloro-2-methyl-6,7,8,8a-tetrahydroquinoline (PubChem CID 67759432) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 4-chloro-2-methyl-6,7,8,8a-tetrahydroquinoline.

Molecular Properties

Compound Name4-chloro-2-methyl-6,7,8,8a-tetrahydroquinoline
PubChem CID67759432
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name4-chloro-2-methyl-6,7,8,8a-tetrahydroquinoline
SMILESCC1=NC2CCCC=C2C(Cl)=C1
InChIInChI=1S/C10H12ClN/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h4,6,10H,2-3,5H2,1H3
InChIKeyNLJZRYPKTHYHHP-UHFFFAOYSA-N
XLogP3.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6,7,8,8a-tetrahydroquinoline?
The IUPAC name of 4-chloro-2-methyl-6,7,8,8a-tetrahydroquinoline (CID 67759432) is 4-chloro-2-methyl-6,7,8,8a-tetrahydroquinoline.
What is the SMILES notation for 4-chloro-2-methyl-6,7,8,8a-tetrahydroquinoline?
The canonical SMILES for 4-chloro-2-methyl-6,7,8,8a-tetrahydroquinoline is CC1=NC2CCCC=C2C(Cl)=C1.
What is the InChIKey of 4-chloro-2-methyl-6,7,8,8a-tetrahydroquinoline?
The InChIKey is NLJZRYPKTHYHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h4,6,10H,2-3,5H2,1H3.
What are the key properties of 4-chloro-2-methyl-6,7,8,8a-tetrahydroquinoline?
4-chloro-2-methyl-6,7,8,8a-tetrahydroquinoline has a molecular weight of 181.67 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6,7,8,8a-tetrahydroquinoline is sourced from PubChem (CID 67759432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).