8-chloro-3-(methoxymethyl)-1,2,3,4-tetrahydroquinoline

C11H14ClNO — CID 83885689

IUPAC8-chloro-3-(methoxymethyl)-1,2,3,4-tetrahydroquinoline
SMILESCOCC1CNc2c(Cl)cccc2C1
InChIInChI=1S/C11H14ClNO/c1-14-7-8-5-9-3-2-4-10(12)11(9)13-6-8/h2-4,8,13H,5-7H2,1H3
InChIKeyQBFRZDVFEYQNJC-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.57
Rot. Bonds2

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

8-chloro-3-(methoxymethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 83885689) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 8-chloro-3-(methoxymethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-chloro-3-(methoxymethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID83885689
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name8-chloro-3-(methoxymethyl)-1,2,3,4-tetrahydroquinoline
SMILESCOCC1CNc2c(Cl)cccc2C1
InChIInChI=1S/C11H14ClNO/c1-14-7-8-5-9-3-2-4-10(12)11(9)13-6-8/h2-4,8,13H,5-7H2,1H3
InChIKeyQBFRZDVFEYQNJC-UHFFFAOYSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(methoxymethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-chloro-3-(methoxymethyl)-1,2,3,4-tetrahydroquinoline (CID 83885689) is 8-chloro-3-(methoxymethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-chloro-3-(methoxymethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-chloro-3-(methoxymethyl)-1,2,3,4-tetrahydroquinoline is COCC1CNc2c(Cl)cccc2C1.
What is the InChIKey of 8-chloro-3-(methoxymethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is QBFRZDVFEYQNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-14-7-8-5-9-3-2-4-10(12)11(9)13-6-8/h2-4,8,13H,5-7H2,1H3.
What are the key properties of 8-chloro-3-(methoxymethyl)-1,2,3,4-tetrahydroquinoline?
8-chloro-3-(methoxymethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 211.69 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(methoxymethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 83885689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).