(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline

C11H15NO — CID 96629809

IUPAC(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc2c(c1)NCC[C@@H]2C
InChIInChI=1S/C11H15NO/c1-8-5-6-12-11-7-9(13-2)3-4-10(8)11/h3-4,7-8,12H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyAXXIBDJPCRUVDM-QMMMGPOBSA-N
MW177.25 g/mol
LogP2.61
Rot. Bonds1

About (4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline

(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 96629809) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID96629809
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc2c(c1)NCC[C@@H]2C
InChIInChI=1S/C11H15NO/c1-8-5-6-12-11-7-9(13-2)3-4-10(8)11/h3-4,7-8,12H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyAXXIBDJPCRUVDM-QMMMGPOBSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-dimethoxy-1,2,3,4-tetrahydroquinoline
CID 82275550
7-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
CID 16744775
6-chloro-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
CID 126978992
8-methoxy-N,5-dimethyl-4,5-dihydro-1H-1-benzazepin-2-amine
CID 167283025
5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole
CID 143474953
6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline
CID 84623888
6-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275574
4-(azetidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 105472992
8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84718205
7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene
CID 121216944
(3S)-7-methoxy-3-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 66651136
(3S)-7-methoxy-3-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepine-2-thione
CID 87090554

Frequently Asked Questions

What is the IUPAC name of (4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline (CID 96629809) is (4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline is COc1ccc2c(c1)NCC[C@@H]2C.
What is the InChIKey of (4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is AXXIBDJPCRUVDM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-5-6-12-11-7-9(13-2)3-4-10(8)11/h3-4,7-8,12H,5-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline?
(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 177.25 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 96629809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).