7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-methyl-2H-quinoline

C20H22N2 — CID 134458413

IUPAC7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-methyl-2H-quinoline
SMILESCN1CC=Cc2ccc(CN3CCc4ccccc4C3)cc21
InChIInChI=1S/C20H22N2/c1-21-11-4-7-18-9-8-16(13-20(18)21)14-22-12-10-17-5-2-3-6-19(17)15-22/h2-9,13H,10-12,14-15H2,1H3
InChIKeyAQWFYRFTIZADDK-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.71
Rot. Bonds2

About 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-methyl-2H-quinoline

7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-methyl-2H-quinoline (PubChem CID 134458413) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-methyl-2H-quinoline.

Molecular Properties

Compound Name7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-methyl-2H-quinoline
PubChem CID134458413
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-methyl-2H-quinoline
SMILESCN1CC=Cc2ccc(CN3CCc4ccccc4C3)cc21
InChIInChI=1S/C20H22N2/c1-21-11-4-7-18-9-8-16(13-20(18)21)14-22-12-10-17-5-2-3-6-19(17)15-22/h2-9,13H,10-12,14-15H2,1H3
InChIKeyAQWFYRFTIZADDK-UHFFFAOYSA-N
XLogP3.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-1H-isoquinoline
CID 143781021
2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 118072735
2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3353508
2-[(3-ethoxy-4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 765023
2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 143655275
2-[(3-nitrosophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 89303739
[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine
CID 107878026
2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 140988917
7-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine
CID 155400140
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(trifluoromethyl)phenol
CID 117221492
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
CID 15519082
2,6-dibromo-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenol
CID 107740197

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-methyl-2H-quinoline?
The IUPAC name of 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-methyl-2H-quinoline (CID 134458413) is 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-methyl-2H-quinoline.
What is the SMILES notation for 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-methyl-2H-quinoline?
The canonical SMILES for 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-methyl-2H-quinoline is CN1CC=Cc2ccc(CN3CCc4ccccc4C3)cc21.
What is the InChIKey of 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-methyl-2H-quinoline?
The InChIKey is AQWFYRFTIZADDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-21-11-4-7-18-9-8-16(13-20(18)21)14-22-12-10-17-5-2-3-6-19(17)15-22/h2-9,13H,10-12,14-15H2,1H3.
What are the key properties of 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-methyl-2H-quinoline?
7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-methyl-2H-quinoline has a molecular weight of 290.41 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-methyl-2H-quinoline is sourced from PubChem (CID 134458413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).