[(2S,4R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid

C11H13ClN2O2 — CID 68921650

IUPAC[(2S,4R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid
SMILESC[C@H]1C[C@@H](NC(=O)O)c2cc(Cl)ccc2N1
InChIInChI=1S/C11H13ClN2O2/c1-6-4-10(14-11(15)16)8-5-7(12)2-3-9(8)13-6/h2-3,5-6,10,13-14H,4H2,1H3,(H,15,16)/t6-,10+/m0/s1
InChIKeyFRMOAACCYURTJM-QUBYGPBYSA-N
MW240.69 g/mol
LogP2.85
Rot. Bonds1

About [(2S,4R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid

[(2S,4R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid (PubChem CID 68921650) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is [(2S,4R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid.

Molecular Properties

Compound Name[(2S,4R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid
PubChem CID68921650
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name[(2S,4R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid
SMILESC[C@H]1C[C@@H](NC(=O)O)c2cc(Cl)ccc2N1
InChIInChI=1S/C11H13ClN2O2/c1-6-4-10(14-11(15)16)8-5-7(12)2-3-9(8)13-6/h2-3,5-6,10,13-14H,4H2,1H3,(H,15,16)/t6-,10+/m0/s1
InChIKeyFRMOAACCYURTJM-QUBYGPBYSA-N
XLogP2.85
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid?
The IUPAC name of [(2S,4R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid (CID 68921650) is [(2S,4R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid.
What is the SMILES notation for [(2S,4R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid?
The canonical SMILES for [(2S,4R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid is C[C@H]1C[C@@H](NC(=O)O)c2cc(Cl)ccc2N1.
What is the InChIKey of [(2S,4R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid?
The InChIKey is FRMOAACCYURTJM-QUBYGPBYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-6-4-10(14-11(15)16)8-5-7(12)2-3-9(8)13-6/h2-3,5-6,10,13-14H,4H2,1H3,(H,15,16)/t6-,10+/m0/s1.
What are the key properties of [(2S,4R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid?
[(2S,4R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid has a molecular weight of 240.69 g/mol, XLogP of 2.85, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid is sourced from PubChem (CID 68921650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).