3-methoxy-6-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropyl]-3,4-dihydroisoquinoline

C24H27NO — CID 54248351

IUPAC3-methoxy-6-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropyl]-3,4-dihydroisoquinoline
SMILESCOC1Cc2cc(C)ccc2C(C2(C3CCCc4ccccc43)CC2)=N1
InChIInChI=1S/C24H27NO/c1-16-10-11-20-18(14-16)15-22(26-2)25-23(20)24(12-13-24)21-9-5-7-17-6-3-4-8-19(17)21/h3-4,6,8,10-11,14,21-22H,5,7,9,12-13,15H2,1-2H3
InChIKeyQUXXHCGLBFGDCA-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.21
Rot. Bonds3

About 3-methoxy-6-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropyl]-3,4-dihydroisoquinoline

3-methoxy-6-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropyl]-3,4-dihydroisoquinoline (PubChem CID 54248351) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-methoxy-6-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropyl]-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name3-methoxy-6-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropyl]-3,4-dihydroisoquinoline
PubChem CID54248351
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name3-methoxy-6-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropyl]-3,4-dihydroisoquinoline
SMILESCOC1Cc2cc(C)ccc2C(C2(C3CCCc4ccccc43)CC2)=N1
InChIInChI=1S/C24H27NO/c1-16-10-11-20-18(14-16)15-22(26-2)25-23(20)24(12-13-24)21-9-5-7-17-6-3-4-8-19(17)21/h3-4,6,8,10-11,14,21-22H,5,7,9,12-13,15H2,1-2H3
InChIKeyQUXXHCGLBFGDCA-UHFFFAOYSA-N
XLogP5.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(s)-4-Benzyl-2-((1r,4as,10ar)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)4,5-dihydrooxazole
CID 172676378
7-Ethyl-1-(methoxymethyl)-3,4-dihydroisoquinoline
CID 59396637
7-Ethyl-1-[(2-methoxyethyl)methyl]-3,4-dihydroisoquinoline
CID 67538088
8-(oxolan-3-yl)-6-[(E)-2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)ethenyl]naphthalene-2-carbonitrile
CID 69561769
6-(2-(1-Isopropyl-3,4-dihydro-7-isoquinolinyl)ethenyl)-8-tetrahydro-3-furanyl-2-naphthonitrile
CID 69561770
8-(Oxolan-3-yl)-6-[2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)cyclopropyl]naphthalene-2-carbonitrile
CID 69562561
1-[(E)-2-naphthalen-2-ylethenyl]-3,4-dihydroisoquinolin-3-ol
CID 139643503
3-butoxy-1-[(E)-2-naphthalen-1-ylethenyl]-3,4-dihydroisoquinoline
CID 139643510
ethane;(3R)-2-ethyl-1-[4-(3-ethyl-4-methylphenyl)-2-methylphenyl]-4-methoxy-3-methyl-N-[1-(3-phenylcyclohexyl)ethyl]butan-1-imine
CID 143633441
3-ethenyl-4-(2-methoxyethyl)-5,7-dimethyl-1-[(3Z)-penta-1,3-dien-2-yl]-3,4-dihydroisoquinoline
CID 155370372
3-ethenyl-4-(2-methoxyethyl)-4,7-dimethyl-1-[(3E)-4,5,5-trimethylhepta-1,3-dien-2-yl]-3H-isoquinoline
CID 155370388
6-Tert-butyl-2-ethenyl-1-(2-methoxyethyl)-1,2,4-trimethylbenzo[f]isoquinoline
CID 156230956

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropyl]-3,4-dihydroisoquinoline?
The IUPAC name of 3-methoxy-6-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropyl]-3,4-dihydroisoquinoline (CID 54248351) is 3-methoxy-6-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropyl]-3,4-dihydroisoquinoline.
What is the SMILES notation for 3-methoxy-6-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropyl]-3,4-dihydroisoquinoline?
The canonical SMILES for 3-methoxy-6-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropyl]-3,4-dihydroisoquinoline is COC1Cc2cc(C)ccc2C(C2(C3CCCc4ccccc43)CC2)=N1.
What is the InChIKey of 3-methoxy-6-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropyl]-3,4-dihydroisoquinoline?
The InChIKey is QUXXHCGLBFGDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-16-10-11-20-18(14-16)15-22(26-2)25-23(20)24(12-13-24)21-9-5-7-17-6-3-4-8-19(17)21/h3-4,6,8,10-11,14,21-22H,5,7,9,12-13,15H2,1-2H3.
What are the key properties of 3-methoxy-6-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropyl]-3,4-dihydroisoquinoline?
3-methoxy-6-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropyl]-3,4-dihydroisoquinoline has a molecular weight of 345.49 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropyl]-3,4-dihydroisoquinoline is sourced from PubChem (CID 54248351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).