6-chloro-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline

C11H14ClNO — CID 126978992

IUPAC6-chloro-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc2c(cc1Cl)C(C)CCN2
InChIInChI=1S/C11H14ClNO/c1-7-3-4-13-10-6-11(14-2)9(12)5-8(7)10/h5-7,13H,3-4H2,1-2H3
InChIKeyVHMCCFWGQOQAQA-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.27
Rot. Bonds1

About 6-chloro-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline

6-chloro-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 126978992) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 6-chloro-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-chloro-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID126978992
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name6-chloro-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc2c(cc1Cl)C(C)CCN2
InChIInChI=1S/C11H14ClNO/c1-7-3-4-13-10-6-11(14-2)9(12)5-8(7)10/h5-7,13H,3-4H2,1-2H3
InChIKeyVHMCCFWGQOQAQA-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
CID 96629809
7-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
CID 16744775
2-(2,5-dichloro-4-methoxyphenyl)piperidine
CID 82301366
7,8-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 79014767
2-(5-chloro-2-fluoro-4-methoxyphenyl)piperidine
CID 84704156
4-methyl-6-nitro-1,2,3,4-tetrahydroquinoline
CID 18367059
(4R)-6-bromo-8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
CID 124676937
3-(5-chloro-2-ethyl-4-methoxyphenyl)pyrrolidine
CID 84701649
6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline
CID 79014891
2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82477382
N-[(6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide
CID 11780382
2-(5-chloro-4-methoxy-2-methylphenyl)-3-methyloxirane
CID 116863456

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-chloro-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline (CID 126978992) is 6-chloro-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-chloro-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-chloro-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline is COc1cc2c(cc1Cl)C(C)CCN2.
What is the InChIKey of 6-chloro-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is VHMCCFWGQOQAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7-3-4-13-10-6-11(14-2)9(12)5-8(7)10/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 6-chloro-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline?
6-chloro-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 211.69 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 126978992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).