methyl 7-chloro-1,2,3,4-tetrahydroquinoline-4-carboxylate

C11H12ClNO2 — CID 83756205

IUPACmethyl 7-chloro-1,2,3,4-tetrahydroquinoline-4-carboxylate
SMILESCOC(=O)C1CCNc2cc(Cl)ccc21
InChIInChI=1S/C11H12ClNO2/c1-15-11(14)9-4-5-13-10-6-7(12)2-3-8(9)10/h2-3,6,9,13H,4-5H2,1H3
InChIKeyRPQPAPZCNWCXHZ-UHFFFAOYSA-N
MW225.67 g/mol
LogP2.41
Rot. Bonds1

About methyl 7-chloro-1,2,3,4-tetrahydroquinoline-4-carboxylate

methyl 7-chloro-1,2,3,4-tetrahydroquinoline-4-carboxylate (PubChem CID 83756205) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is methyl 7-chloro-1,2,3,4-tetrahydroquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-1,2,3,4-tetrahydroquinoline-4-carboxylate
PubChem CID83756205
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Namemethyl 7-chloro-1,2,3,4-tetrahydroquinoline-4-carboxylate
SMILESCOC(=O)C1CCNc2cc(Cl)ccc21
InChIInChI=1S/C11H12ClNO2/c1-15-11(14)9-4-5-13-10-6-7(12)2-3-8(9)10/h2-3,6,9,13H,4-5H2,1H3
InChIKeyRPQPAPZCNWCXHZ-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-1,2,3,4-tetrahydroquinoline-4-carboxylate?
The IUPAC name of methyl 7-chloro-1,2,3,4-tetrahydroquinoline-4-carboxylate (CID 83756205) is methyl 7-chloro-1,2,3,4-tetrahydroquinoline-4-carboxylate.
What is the SMILES notation for methyl 7-chloro-1,2,3,4-tetrahydroquinoline-4-carboxylate?
The canonical SMILES for methyl 7-chloro-1,2,3,4-tetrahydroquinoline-4-carboxylate is COC(=O)C1CCNc2cc(Cl)ccc21.
What is the InChIKey of methyl 7-chloro-1,2,3,4-tetrahydroquinoline-4-carboxylate?
The InChIKey is RPQPAPZCNWCXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-15-11(14)9-4-5-13-10-6-7(12)2-3-8(9)10/h2-3,6,9,13H,4-5H2,1H3.
What are the key properties of methyl 7-chloro-1,2,3,4-tetrahydroquinoline-4-carboxylate?
methyl 7-chloro-1,2,3,4-tetrahydroquinoline-4-carboxylate has a molecular weight of 225.67 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-1,2,3,4-tetrahydroquinoline-4-carboxylate is sourced from PubChem (CID 83756205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).