1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-N,N-dimethylethanamine

C25H24N2 — CID 11523202

IUPAC1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-N,N-dimethylethanamine
SMILESCC(c1ccc(-c2ccc(-c3cccc4cnccc34)cc2)cc1)N(C)C
InChIInChI=1S/C25H24N2/c1-18(27(2)3)19-7-9-20(10-8-19)21-11-13-22(14-12-21)24-6-4-5-23-17-26-16-15-25(23)24/h4-18H,1-3H3
InChIKeyWULWFPTZFYRYBB-UHFFFAOYSA-N
MW352.48 g/mol
LogP6.19
Rot. Bonds4

About 1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-N,N-dimethylethanamine

1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-N,N-dimethylethanamine (PubChem CID 11523202) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-N,N-dimethylethanamine
PubChem CID11523202
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-N,N-dimethylethanamine
SMILESCC(c1ccc(-c2ccc(-c3cccc4cnccc34)cc2)cc1)N(C)C
InChIInChI=1S/C25H24N2/c1-18(27(2)3)19-7-9-20(10-8-19)21-11-13-22(14-12-21)24-6-4-5-23-17-26-16-15-25(23)24/h4-18H,1-3H3
InChIKeyWULWFPTZFYRYBB-UHFFFAOYSA-N
XLogP6.19
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-pyrimidin-5-ylisoquinoline
CID 141337488
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline
CID 122416201
2-(4-isoquinolin-5-ylphenyl)-2-methylpropanamide
CID 50975662
5-(3-chlorophenyl)isoquinoline
CID 23602252
5-(furan-3-yl)isoquinoline
CID 102045200
(1R)-N,N-dimethyl-1-(4-quinolin-3-ylphenyl)ethanamine
CID 95141509
5-isoquinolin-5-yl-2-methoxyaniline
CID 62812119
5-isoquinolin-5-ylpyridin-3-ol
CID 83130626
5-(5-bromo-3-pyridinyl)isoquinoline
CID 172649263
N,N-bis(4-isoquinolin-5-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
CID 170404386
ethane;1-[4-(5-pyrrol-1-ylisoquinolin-6-yl)phenyl]ethanamine
CID 143030931
4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]pyridine
CID 71174823

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-N,N-dimethylethanamine?
The IUPAC name of 1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-N,N-dimethylethanamine (CID 11523202) is 1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-N,N-dimethylethanamine.
What is the SMILES notation for 1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-N,N-dimethylethanamine?
The canonical SMILES for 1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-N,N-dimethylethanamine is CC(c1ccc(-c2ccc(-c3cccc4cnccc34)cc2)cc1)N(C)C.
What is the InChIKey of 1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-N,N-dimethylethanamine?
The InChIKey is WULWFPTZFYRYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2/c1-18(27(2)3)19-7-9-20(10-8-19)21-11-13-22(14-12-21)24-6-4-5-23-17-26-16-15-25(23)24/h4-18H,1-3H3.
What are the key properties of 1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-N,N-dimethylethanamine?
1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-N,N-dimethylethanamine has a molecular weight of 352.48 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 11523202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).