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

C11H14ClNO — CID 82275034

IUPAC7-chloro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOC1CC(C)Nc2cc(Cl)ccc21
InChIInChI=1S/C11H14ClNO/c1-7-5-11(14-2)9-4-3-8(12)6-10(9)13-7/h3-4,6-7,11,13H,5H2,1-2H3
InChIKeyDMLZIOINKDWRLY-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.23
Rot. Bonds1

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

7-chloro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 82275034) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 7-chloro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-chloro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID82275034
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name7-chloro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOC1CC(C)Nc2cc(Cl)ccc21
InChIInChI=1S/C11H14ClNO/c1-7-5-11(14-2)9-4-3-8(12)6-10(9)13-7/h3-4,6-7,11,13H,5H2,1-2H3
InChIKeyDMLZIOINKDWRLY-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2,4-dimethyl-1,2,3,4-tetrahydroquinoline
CID 105449607
[(2S,4R)-6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamic acid
CID 68921650
(2R,4S)-6-chloro-N-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 21093001
7-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
CID 16744775
6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 83915776
(2S,4S)-7-chloro-4-methoxycarbonyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 15168466
4,6,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 82276016
(2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 131014008
2-(5-chloro-2-methoxyphenyl)-4-methylazetidine
CID 116821949
4-(6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)morpholine
CID 82275927
methyl 7-chloro-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 83756205
(2R,4S)-4-ethoxy-2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 76850618

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-chloro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline (CID 82275034) is 7-chloro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-chloro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-chloro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline is COC1CC(C)Nc2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is DMLZIOINKDWRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7-5-11(14-2)9-4-3-8(12)6-10(9)13-7/h3-4,6-7,11,13H,5H2,1-2H3.
What are the key properties of 7-chloro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline?
7-chloro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 211.69 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 82275034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).