(2R)-8-chloro-2-methyl-1,2,3,4-tetrahydroquinoline

C10H12ClN — CID 95427004

IUPAC(2R)-8-chloro-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESC[C@@H]1CCc2cccc(Cl)c2N1
InChIInChI=1S/C10H12ClN/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-4,7,12H,5-6H2,1H3/t7-/m1/s1
InChIKeyPYQBJECWXOUNTM-SSDOTTSWSA-N
MW181.67 g/mol
LogP3.09
Rot. Bonds

About (2R)-8-chloro-2-methyl-1,2,3,4-tetrahydroquinoline

(2R)-8-chloro-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 95427004) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is (2R)-8-chloro-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2R)-8-chloro-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID95427004
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name(2R)-8-chloro-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESC[C@@H]1CCc2cccc(Cl)c2N1
InChIInChI=1S/C10H12ClN/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-4,7,12H,5-6H2,1H3/t7-/m1/s1
InChIKeyPYQBJECWXOUNTM-SSDOTTSWSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-8-chloro-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2R)-8-chloro-2-methyl-1,2,3,4-tetrahydroquinoline (CID 95427004) is (2R)-8-chloro-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2R)-8-chloro-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2R)-8-chloro-2-methyl-1,2,3,4-tetrahydroquinoline is C[C@@H]1CCc2cccc(Cl)c2N1.
What is the InChIKey of (2R)-8-chloro-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is PYQBJECWXOUNTM-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12ClN/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-4,7,12H,5-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-8-chloro-2-methyl-1,2,3,4-tetrahydroquinoline?
(2R)-8-chloro-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 181.67 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-chloro-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 95427004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).