5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline

C10H12ClNO — CID 84667985

IUPAC5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc(Cl)c2c(c1)NCCC2
InChIInChI=1S/C10H12ClNO/c1-13-7-5-9(11)8-3-2-4-12-10(8)6-7/h5-6,12H,2-4H2,1H3
InChIKeyWTDXMNUREGSADA-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.71
Rot. Bonds1

About 5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline

5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 84667985) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline
PubChem CID84667985
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc(Cl)c2c(c1)NCCC2
InChIInChI=1S/C10H12ClNO/c1-13-7-5-9(11)8-3-2-4-12-10(8)6-7/h5-6,12H,2-4H2,1H3
InChIKeyWTDXMNUREGSADA-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 84667978
7,8-dichloro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 79014766
5-chloro-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1H-quinoline
CID 154269284
1-bromo-5-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 62736738
(5S)-1-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014415
7,8-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 79014767
6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline
CID 84656157
5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760
5-[2-(5-methoxy-3-pyridinyl)ethynyl]-1,2,3,4-tetrahydroquinoline
CID 170694222
(4-chloro-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]quinolin-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 10110284
5-methoxy-7-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 82624054
8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 121231740

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline (CID 84667985) is 5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline is COc1cc(Cl)c2c(c1)NCCC2.
What is the InChIKey of 5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is WTDXMNUREGSADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-13-7-5-9(11)8-3-2-4-12-10(8)6-7/h5-6,12H,2-4H2,1H3.
What are the key properties of 5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline?
5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 197.66 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 84667985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).