(3S)-5-chloro-6-methoxy-3-methyl-3,4-dihydroisoquinoline

C11H12ClNO — CID 125474199

IUPAC(3S)-5-chloro-6-methoxy-3-methyl-3,4-dihydroisoquinoline
SMILESCOc1ccc2c(c1Cl)C[C@H](C)N=C2
InChIInChI=1S/C11H12ClNO/c1-7-5-9-8(6-13-7)3-4-10(14-2)11(9)12/h3-4,6-7H,5H2,1-2H3/t7-/m0/s1
InChIKeyLMNSCSFJNGABFA-ZETCQYMHSA-N
MW209.68 g/mol
LogP2.71
Rot. Bonds1

About (3S)-5-chloro-6-methoxy-3-methyl-3,4-dihydroisoquinoline

(3S)-5-chloro-6-methoxy-3-methyl-3,4-dihydroisoquinoline (PubChem CID 125474199) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is (3S)-5-chloro-6-methoxy-3-methyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name(3S)-5-chloro-6-methoxy-3-methyl-3,4-dihydroisoquinoline
PubChem CID125474199
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name(3S)-5-chloro-6-methoxy-3-methyl-3,4-dihydroisoquinoline
SMILESCOc1ccc2c(c1Cl)C[C@H](C)N=C2
InChIInChI=1S/C11H12ClNO/c1-7-5-9-8(6-13-7)3-4-10(14-2)11(9)12/h3-4,6-7H,5H2,1-2H3/t7-/m0/s1
InChIKeyLMNSCSFJNGABFA-ZETCQYMHSA-N
XLogP2.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-5-chloro-6-methoxy-3-methyl-3,4-dihydroisoquinoline with MolForge

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Related Compounds

(2S)-4-chloro-5-methoxy-2-methyl-2,3-dihydroinden-1-one
CID 146510847
7-chloro-6-methoxy-2-methyl-2,3-dihydroinden-1-one
CID 22173315
4-chloro-5-methoxy-2,3-dihydro-1H-inden-1-amine
CID 55272709
(3aR,9bR)-6-chloro-7-methoxy-3a-methyl-2,3,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrole
CID 25231018
4-chloro-5-methoxy-2-[(1S,2R)-2-methylcyclohexyl]-3H-isoindol-1-one
CID 97056679
4-chloro-5-methoxy-2-[(1S,2S)-2-methylcyclohexyl]-3H-isoindol-1-one
CID 97056680
4-chloro-5-methoxy-1-methyl-2,3-dihydroindole
CID 59465689
3-(3-chloro-2-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 137377989
5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 84667978
8-chloro-7-methoxy-2-methyl-1λ6,2,3-benzothiadiazine 1,1-dioxide
CID 67538495
(3aR,9bR)-6-chloro-7-methoxy-3a-methyl-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalene
CID 160711595
5-(3-chloro-4-methoxyphenyl)cyclohexane-1,3-dione
CID 81340530

Frequently Asked Questions

What is the IUPAC name of (3S)-5-chloro-6-methoxy-3-methyl-3,4-dihydroisoquinoline?
The IUPAC name of (3S)-5-chloro-6-methoxy-3-methyl-3,4-dihydroisoquinoline (CID 125474199) is (3S)-5-chloro-6-methoxy-3-methyl-3,4-dihydroisoquinoline.
What is the SMILES notation for (3S)-5-chloro-6-methoxy-3-methyl-3,4-dihydroisoquinoline?
The canonical SMILES for (3S)-5-chloro-6-methoxy-3-methyl-3,4-dihydroisoquinoline is COc1ccc2c(c1Cl)C[C@H](C)N=C2.
What is the InChIKey of (3S)-5-chloro-6-methoxy-3-methyl-3,4-dihydroisoquinoline?
The InChIKey is LMNSCSFJNGABFA-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-7-5-9-8(6-13-7)3-4-10(14-2)11(9)12/h3-4,6-7H,5H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-5-chloro-6-methoxy-3-methyl-3,4-dihydroisoquinoline?
(3S)-5-chloro-6-methoxy-3-methyl-3,4-dihydroisoquinoline has a molecular weight of 209.68 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-chloro-6-methoxy-3-methyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 125474199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).