3-ethenyl-7-(2-methoxypropan-2-yl)isoquinoline

C15H17NO — CID 170708264

IUPAC3-ethenyl-7-(2-methoxypropan-2-yl)isoquinoline
SMILESC=Cc1cc2ccc(C(C)(C)OC)cc2cn1
InChIInChI=1S/C15H17NO/c1-5-14-9-11-6-7-13(15(2,3)17-4)8-12(11)10-16-14/h5-10H,1H2,2-4H3
InChIKeyOHZUCLCDBFGSIJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.76
Rot. Bonds3

About 3-ethenyl-7-(2-methoxypropan-2-yl)isoquinoline

3-ethenyl-7-(2-methoxypropan-2-yl)isoquinoline (PubChem CID 170708264) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-ethenyl-7-(2-methoxypropan-2-yl)isoquinoline.

Molecular Properties

Compound Name3-ethenyl-7-(2-methoxypropan-2-yl)isoquinoline
PubChem CID170708264
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-ethenyl-7-(2-methoxypropan-2-yl)isoquinoline
SMILESC=Cc1cc2ccc(C(C)(C)OC)cc2cn1
InChIInChI=1S/C15H17NO/c1-5-14-9-11-6-7-13(15(2,3)17-4)8-12(11)10-16-14/h5-10H,1H2,2-4H3
InChIKeyOHZUCLCDBFGSIJ-UHFFFAOYSA-N
XLogP3.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 140788625
CID 140788625
1-tert-butyl-3,5-bis(2-methoxypropan-2-yl)benzene
CID 141239687
6-ethenylpyridine-3,4-diamine
CID 74891844
2,7-bis(1,1-dimethoxyethyl)naphthalene
CID 15686313
6-ethenyl-4-methylpyridin-3-amine
CID 74888522
1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene
CID 20723728
2-ethenyl-5-(methoxymethoxy)pyridine
CID 58571048
2,6-ditert-butylanthracene
CID 15740416
(6-tert-butylnaphthalen-2-yl)-trimethoxysilane
CID 157107144
2-ethenyl-5-ethyl-4-methylpyridine
CID 45079614
2-[4-(2-methoxypropan-2-yl)phenyl]propan-2-ol
CID 117297913
1-(1,1-dimethoxyethyl)-4-ethenylbenzene
CID 174389278

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-7-(2-methoxypropan-2-yl)isoquinoline?
The IUPAC name of 3-ethenyl-7-(2-methoxypropan-2-yl)isoquinoline (CID 170708264) is 3-ethenyl-7-(2-methoxypropan-2-yl)isoquinoline.
What is the SMILES notation for 3-ethenyl-7-(2-methoxypropan-2-yl)isoquinoline?
The canonical SMILES for 3-ethenyl-7-(2-methoxypropan-2-yl)isoquinoline is C=Cc1cc2ccc(C(C)(C)OC)cc2cn1.
What is the InChIKey of 3-ethenyl-7-(2-methoxypropan-2-yl)isoquinoline?
The InChIKey is OHZUCLCDBFGSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-5-14-9-11-6-7-13(15(2,3)17-4)8-12(11)10-16-14/h5-10H,1H2,2-4H3.
What are the key properties of 3-ethenyl-7-(2-methoxypropan-2-yl)isoquinoline?
3-ethenyl-7-(2-methoxypropan-2-yl)isoquinoline has a molecular weight of 227.31 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-7-(2-methoxypropan-2-yl)isoquinoline is sourced from PubChem (CID 170708264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).