(2R)-2-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline

C15H14ClN — CID 138970519

IUPAC(2R)-2-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline
SMILESClc1ccc([C@H]2CCc3ccccc3N2)cc1
InChIInChI=1S/C15H14ClN/c16-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)17-15/h1-6,8-9,15,17H,7,10H2/t15-/m1/s1
InChIKeyIRPYMDUNIMIJIK-OAHLLOKOSA-N
MW243.74 g/mol
LogP4.44
Rot. Bonds1

About (2R)-2-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline

(2R)-2-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 138970519) has the molecular formula C15H14ClN and a molecular weight of 243.74 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID138970519
Molecular FormulaC15H14ClN
Molecular Weight243.74 g/mol
Exact Mass243.08
IUPAC Name(2R)-2-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline
SMILESClc1ccc([C@H]2CCc3ccccc3N2)cc1
InChIInChI=1S/C15H14ClN/c16-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)17-15/h1-6,8-9,15,17H,7,10H2/t15-/m1/s1
InChIKeyIRPYMDUNIMIJIK-OAHLLOKOSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2R)-2-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline (CID 138970519) is (2R)-2-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline is Clc1ccc([C@H]2CCc3ccccc3N2)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is IRPYMDUNIMIJIK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14ClN/c16-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)17-15/h1-6,8-9,15,17H,7,10H2/t15-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline?
(2R)-2-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 243.74 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 138970519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).