7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-1H-isoquinoline

C22H26N2 — CID 143781021

IUPAC7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-1H-isoquinoline
SMILESCC(C)N1C=Cc2ccc(CN3CCc4ccccc4C3)cc2C1
InChIInChI=1S/C22H26N2/c1-17(2)24-12-10-20-8-7-18(13-22(20)16-24)14-23-11-9-19-5-3-4-6-21(19)15-23/h3-8,10,12-13,17H,9,11,14-16H2,1-2H3
InChIKeyWHLLBYASUJIBFE-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.44
Rot. Bonds3

About 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-1H-isoquinoline

7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-1H-isoquinoline (PubChem CID 143781021) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-1H-isoquinoline.

Molecular Properties

Compound Name7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-1H-isoquinoline
PubChem CID143781021
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-1H-isoquinoline
SMILESCC(C)N1C=Cc2ccc(CN3CCc4ccccc4C3)cc2C1
InChIInChI=1S/C22H26N2/c1-17(2)24-12-10-20-8-7-18(13-22(20)16-24)14-23-11-9-19-5-3-4-6-21(19)15-23/h3-8,10,12-13,17H,9,11,14-16H2,1-2H3
InChIKeyWHLLBYASUJIBFE-UHFFFAOYSA-N
XLogP4.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-methyl-2H-quinoline
CID 134458413
ethane;2-propan-2-yl-1H-isoquinoline;yttrium
CID 160548203
2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 118072735
[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine
CID 107878026
2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3353508
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
CID 15519082
2-[(3-ethoxy-4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 765023
2-[(3-nitrosophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 89303739
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane
CID 145118805
2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 140988917
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-(trifluoromethyl)phenol
CID 117221492
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)-2-propan-2-yl-1H-isoquinoline?
The IUPAC name of 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-1H-isoquinoline (CID 143781021) is 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-1H-isoquinoline.
What is the SMILES notation for 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-1H-isoquinoline?
The canonical SMILES for 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-1H-isoquinoline is CC(C)N1C=Cc2ccc(CN3CCc4ccccc4C3)cc2C1.
What is the InChIKey of 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-1H-isoquinoline?
The InChIKey is WHLLBYASUJIBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-17(2)24-12-10-20-8-7-18(13-22(20)16-24)14-23-11-9-19-5-3-4-6-21(19)15-23/h3-8,10,12-13,17H,9,11,14-16H2,1-2H3.
What are the key properties of 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-1H-isoquinoline?
7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-1H-isoquinoline has a molecular weight of 318.46 g/mol, XLogP of 4.44, 3 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)-2-propan-2-yl-1H-isoquinoline is sourced from PubChem (CID 143781021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).