6-ethenylisoquinoline;N-methyl-4-phenylaniline

C24H22N2 — CID 162521379

IUPAC6-ethenylisoquinoline;N-methyl-4-phenylaniline
SMILESC=Cc1ccc2cnccc2c1.CNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H13N.C11H9N/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-2-9-3-4-11-8-12-6-5-10(11)7-9/h2-10,14H,1H3;2-8H,1H2
InChIKeyKCXZFKVPQKTKQQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP6.27
Rot. Bonds3

About 6-ethenylisoquinoline;N-methyl-4-phenylaniline

6-ethenylisoquinoline;N-methyl-4-phenylaniline (PubChem CID 162521379) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 6-ethenylisoquinoline;N-methyl-4-phenylaniline.

Molecular Properties

Compound Name6-ethenylisoquinoline;N-methyl-4-phenylaniline
PubChem CID162521379
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name6-ethenylisoquinoline;N-methyl-4-phenylaniline
SMILESC=Cc1ccc2cnccc2c1.CNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H13N.C11H9N/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-2-9-3-4-11-8-12-6-5-10(11)7-9/h2-10,14H,1H3;2-8H,1H2
InChIKeyKCXZFKVPQKTKQQ-UHFFFAOYSA-N
XLogP6.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-naphthalen-2-ylisoquinoline
CID 59724414
isoquinoline;prop-1-ene
CID 142462490
N,4-dimethylaniline;1-ethenyl-3-methylbenzene
CID 142013646
N-methyl-5-(4-phenylphenoxy)pyridin-3-amine
CID 104536254
2-[4-(4-ethenylphenyl)phenyl]-3,5,6-triphenylpyrazine
CID 58151656
5-ethenyl-N-methylpyridin-3-amine
CID 74890312
deuterio(isoquinolin-6-yl)methanone
CID 154715410
4-[4-(4-ethenylphenyl)phenyl]-2,6-bis(4-phenylphenyl)pyridine
CID 58151660
(E)-3-isoquinolin-6-ylprop-2-enoic acid
CID 82580093
N-methyl-4-[3-[6-[3-[4-(methylamino)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]aniline
CID 143239958
2,6-bis(ethenyl)anthracene
CID 102227749
2-(4-ethenylphenyl)-3,5,6-triphenylpyrazine
CID 58151664

Frequently Asked Questions

What is the IUPAC name of 6-ethenylisoquinoline;N-methyl-4-phenylaniline?
The IUPAC name of 6-ethenylisoquinoline;N-methyl-4-phenylaniline (CID 162521379) is 6-ethenylisoquinoline;N-methyl-4-phenylaniline.
What is the SMILES notation for 6-ethenylisoquinoline;N-methyl-4-phenylaniline?
The canonical SMILES for 6-ethenylisoquinoline;N-methyl-4-phenylaniline is C=Cc1ccc2cnccc2c1.CNc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6-ethenylisoquinoline;N-methyl-4-phenylaniline?
The InChIKey is KCXZFKVPQKTKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.C11H9N/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-2-9-3-4-11-8-12-6-5-10(11)7-9/h2-10,14H,1H3;2-8H,1H2.
What are the key properties of 6-ethenylisoquinoline;N-methyl-4-phenylaniline?
6-ethenylisoquinoline;N-methyl-4-phenylaniline has a molecular weight of 338.45 g/mol, XLogP of 6.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenylisoquinoline;N-methyl-4-phenylaniline is sourced from PubChem (CID 162521379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).