6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline

C18H27NO2 — CID 7445947

IUPAC6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN([C@@H]1CCC[C@H](C)C1)CC2
InChIInChI=1S/C18H27NO2/c1-13-5-4-6-16(9-13)19-8-7-14-10-17(20-2)18(21-3)11-15(14)12-19/h10-11,13,16H,4-9,12H2,1-3H3/t13-,16+/m0/s1
InChIKeyZQIOKZDDGDLJOJ-XJKSGUPXSA-N
MW289.42 g/mol
LogP3.64
Rot. Bonds3

About 6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline

6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 7445947) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline
PubChem CID7445947
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN([C@@H]1CCC[C@H](C)C1)CC2
InChIInChI=1S/C18H27NO2/c1-13-5-4-6-16(9-13)19-8-7-14-10-17(20-2)18(21-3)11-15(14)12-19/h10-11,13,16H,4-9,12H2,1-3H3/t13-,16+/m0/s1
InChIKeyZQIOKZDDGDLJOJ-XJKSGUPXSA-N
XLogP3.64
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 10863641
3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol
CID 3779112
1-[(1S,3R)-3-methylcyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 1131768
5-[[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole
CID 45252202
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144
5-bromo-2-cyclopentyl-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 110457383
[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone
CID 109132617
6,7-dimethoxy-2-(4-methylsulfanylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 82765352
9,10-dimethoxy-2,3-dimethyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 175628428
1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 7047259
[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1-methylindol-2-yl)methanone
CID 45216101
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline (CID 7445947) is 6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)CN([C@@H]1CCC[C@H](C)C1)CC2.
What is the InChIKey of 6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is ZQIOKZDDGDLJOJ-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-5-4-6-16(9-13)19-8-7-14-10-17(20-2)18(21-3)11-15(14)12-19/h10-11,13,16H,4-9,12H2,1-3H3/t13-,16+/m0/s1.
What are the key properties of 6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline?
6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 289.42 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 7445947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).