6-chloro-3-methoxy-1,2,3,4-tetrahydroquinoline

C10H12ClNO — CID 105451219

IUPAC6-chloro-3-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOC1CNc2ccc(Cl)cc2C1
InChIInChI=1S/C10H12ClNO/c1-13-9-5-7-4-8(11)2-3-10(7)12-6-9/h2-4,9,12H,5-6H2,1H3
InChIKeyBDLCDKLNVHZPNA-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.32
Rot. Bonds1

About 6-chloro-3-methoxy-1,2,3,4-tetrahydroquinoline

6-chloro-3-methoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 105451219) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 6-chloro-3-methoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-chloro-3-methoxy-1,2,3,4-tetrahydroquinoline
PubChem CID105451219
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name6-chloro-3-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOC1CNc2ccc(Cl)cc2C1
InChIInChI=1S/C10H12ClNO/c1-13-9-5-7-4-8(11)2-3-10(7)12-6-9/h2-4,9,12H,5-6H2,1H3
InChIKeyBDLCDKLNVHZPNA-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-4-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 138688043
5-chloro-2-methoxy-2,3-dihydro-1H-indene
CID 141376286
3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 155943544
N-[(6-chloro-1,2,3,4-tetrahydroquinolin-3-yl)methyl]ethanamine
CID 105482686
3,7-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 106110899
methyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate
CID 21344957
5-fluoro-3-methoxy-1,2,3,4-tetrahydroquinoline
CID 105439383
tert-butyl N-[3-(6-chloro-1,2,3,4-tetrahydroquinolin-3-yl)propyl]-N-methylcarbamate
CID 69356088
3-(3,5-dichlorophenyl)-6-methoxy-1,3-diazepane-2,4-dione
CID 107653893
7-chloro-3-fluoro-1,2,3,4-tetrahydroquinoline
CID 84718966
6-methoxy-1,2,3,4-tetrahydroquinolin-3-ol;hydrochloride
CID 105469275
1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine
CID 83868576

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-chloro-3-methoxy-1,2,3,4-tetrahydroquinoline (CID 105451219) is 6-chloro-3-methoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-chloro-3-methoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-chloro-3-methoxy-1,2,3,4-tetrahydroquinoline is COC1CNc2ccc(Cl)cc2C1.
What is the InChIKey of 6-chloro-3-methoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is BDLCDKLNVHZPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-13-9-5-7-4-8(11)2-3-10(7)12-6-9/h2-4,9,12H,5-6H2,1H3.
What are the key properties of 6-chloro-3-methoxy-1,2,3,4-tetrahydroquinoline?
6-chloro-3-methoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 197.66 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 105451219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).