2-chloro-8-methyl-5,6,7,8-tetrahydroquinoline

C10H12ClN — CID 72743006

IUPAC2-chloro-8-methyl-5,6,7,8-tetrahydroquinoline
SMILESCC1CCCc2ccc(Cl)nc21
InChIInChI=1S/C10H12ClN/c1-7-3-2-4-8-5-6-9(11)12-10(7)8/h5-7H,2-4H2,1H3
InChIKeyJITQGIDSIWOHJG-UHFFFAOYSA-N
MW181.67 g/mol
LogP3.17
Rot. Bonds

About 2-chloro-8-methyl-5,6,7,8-tetrahydroquinoline

2-chloro-8-methyl-5,6,7,8-tetrahydroquinoline (PubChem CID 72743006) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 2-chloro-8-methyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-chloro-8-methyl-5,6,7,8-tetrahydroquinoline
PubChem CID72743006
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name2-chloro-8-methyl-5,6,7,8-tetrahydroquinoline
SMILESCC1CCCc2ccc(Cl)nc21
InChIInChI=1S/C10H12ClN/c1-7-3-2-4-8-5-6-9(11)12-10(7)8/h5-7H,2-4H2,1H3
InChIKeyJITQGIDSIWOHJG-UHFFFAOYSA-N
XLogP3.17
TPSA12.89 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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5,6,7,8-tetrahydroquinolin-8-amine
CID 58484137
2-chloro-5,6,7,8-tetrahydroquinoline-8-thiol
CID 88997258
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
CID 42609290
methyl (8R)-8-methyl-5,6,7,8-tetrahydroquinoline-2-carboxylate
CID 159476275
2-chloro-5-methyl-5,6,7,8-tetrahydroquinoxaline
CID 21036673
[(7S)-2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methanol
CID 102140405
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 15012906
4-chloro-2,8-dimethyl-5,6,7,8-tetrahydroquinoline
CID 12798309
8-methyl-5,6,7,8-tetrahydrocinnolin-3-amine
CID 62785717
9-chloro-4-methyl-1,2,3,4-tetrahydroacridine
CID 131881423
2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol
CID 118664076
6-chloro-3-(2,6-dimethylpiperidin-1-yl)-2-methylpyridine
CID 82225092

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methyl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-chloro-8-methyl-5,6,7,8-tetrahydroquinoline (CID 72743006) is 2-chloro-8-methyl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-chloro-8-methyl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-chloro-8-methyl-5,6,7,8-tetrahydroquinoline is CC1CCCc2ccc(Cl)nc21.
What is the InChIKey of 2-chloro-8-methyl-5,6,7,8-tetrahydroquinoline?
The InChIKey is JITQGIDSIWOHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c1-7-3-2-4-8-5-6-9(11)12-10(7)8/h5-7H,2-4H2,1H3.
What are the key properties of 2-chloro-8-methyl-5,6,7,8-tetrahydroquinoline?
2-chloro-8-methyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 181.67 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 72743006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).