(1S)-6-methoxy-2-methyl-1H-isoquinoline-1,7-diol

C11H13NO3 — CID 140740894

IUPAC(1S)-6-methoxy-2-methyl-1H-isoquinoline-1,7-diol
SMILESCOc1cc2c(cc1O)[C@H](O)N(C)C=C2
InChIInChI=1S/C11H13NO3/c1-12-4-3-7-5-10(15-2)9(13)6-8(7)11(12)14/h3-6,11,13-14H,1-2H3/t11-/m0/s1
InChIKeyBCGJSGMJJOVEOV-NSHDSACASA-N
MW207.23 g/mol
LogP1.31
Rot. Bonds1

About (1S)-6-methoxy-2-methyl-1H-isoquinoline-1,7-diol

(1S)-6-methoxy-2-methyl-1H-isoquinoline-1,7-diol (PubChem CID 140740894) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (1S)-6-methoxy-2-methyl-1H-isoquinoline-1,7-diol.

Molecular Properties

Compound Name(1S)-6-methoxy-2-methyl-1H-isoquinoline-1,7-diol
PubChem CID140740894
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(1S)-6-methoxy-2-methyl-1H-isoquinoline-1,7-diol
SMILESCOc1cc2c(cc1O)[C@H](O)N(C)C=C2
InChIInChI=1S/C11H13NO3/c1-12-4-3-7-5-10(15-2)9(13)6-8(7)11(12)14/h3-6,11,13-14H,1-2H3/t11-/m0/s1
InChIKeyBCGJSGMJJOVEOV-NSHDSACASA-N
XLogP1.31
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Hydrastinine Hydrochloride
CID 71833
Hydrastinine
CID 3638
Corypalline
CID 280225
Cambridge id 5259966
CID 792291
6-hydroxy-7-methoxy-N-methyl-3,4-dihydroisoquinoline
CID 2752173
7-N orcarnegine
CID 40093
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol
CID 764835
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 141531416
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methoxy-2-methylphenyl)pentan-1-ol
CID 141531424
Phenol, 4-[(dimethylamino)methyl]-2-methoxy-
CID 10381432
7-methoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 25073096
7-Methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 417289

Frequently Asked Questions

What is the IUPAC name of (1S)-6-methoxy-2-methyl-1H-isoquinoline-1,7-diol?
The IUPAC name of (1S)-6-methoxy-2-methyl-1H-isoquinoline-1,7-diol (CID 140740894) is (1S)-6-methoxy-2-methyl-1H-isoquinoline-1,7-diol.
What is the SMILES notation for (1S)-6-methoxy-2-methyl-1H-isoquinoline-1,7-diol?
The canonical SMILES for (1S)-6-methoxy-2-methyl-1H-isoquinoline-1,7-diol is COc1cc2c(cc1O)[C@H](O)N(C)C=C2.
What is the InChIKey of (1S)-6-methoxy-2-methyl-1H-isoquinoline-1,7-diol?
The InChIKey is BCGJSGMJJOVEOV-NSHDSACASA-N. The full InChI is InChI=1S/C11H13NO3/c1-12-4-3-7-5-10(15-2)9(13)6-8(7)11(12)14/h3-6,11,13-14H,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-6-methoxy-2-methyl-1H-isoquinoline-1,7-diol?
(1S)-6-methoxy-2-methyl-1H-isoquinoline-1,7-diol has a molecular weight of 207.23 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-methoxy-2-methyl-1H-isoquinoline-1,7-diol is sourced from PubChem (CID 140740894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).