4-(2-methoxyquinolin-6-yl)but-3-enenitrile

C14H12N2O — CID 170800489

IUPAC4-(2-methoxyquinolin-6-yl)but-3-enenitrile
SMILESCOc1ccc2cc(C=CCC#N)ccc2n1
InChIInChI=1S/C14H12N2O/c1-17-14-8-6-12-10-11(4-2-3-9-15)5-7-13(12)16-14/h2,4-8,10H,3H2,1H3
InChIKeyKQJWVQAPEMALIW-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.17
Rot. Bonds3

About 4-(2-methoxyquinolin-6-yl)but-3-enenitrile

4-(2-methoxyquinolin-6-yl)but-3-enenitrile (PubChem CID 170800489) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(2-methoxyquinolin-6-yl)but-3-enenitrile.

Molecular Properties

Compound Name4-(2-methoxyquinolin-6-yl)but-3-enenitrile
PubChem CID170800489
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name4-(2-methoxyquinolin-6-yl)but-3-enenitrile
SMILESCOc1ccc2cc(C=CCC#N)ccc2n1
InChIInChI=1S/C14H12N2O/c1-17-14-8-6-12-10-11(4-2-3-9-15)5-7-13(12)16-14/h2,4-8,10H,3H2,1H3
InChIKeyKQJWVQAPEMALIW-UHFFFAOYSA-N
XLogP3.17
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyquinolin-6-yl)but-3-ene-1-thiol
CID 170479131
4-(3-formyl-4-methoxyphenyl)but-3-enenitrile
CID 170799939
4-isoquinolin-6-ylbut-3-enenitrile
CID 170799874
manganese;(2-methoxyquinolin-6-yl)methanol
CID 153439798
(E)-4-(3,7,8-trimethoxynaphthalen-2-yl)but-3-enenitrile
CID 70225396
4-(4-methoxy-3-nitrophenyl)but-3-enenitrile
CID 170800367
4-(1H-indazol-6-yl)but-3-enenitrile
CID 170799818
2-methoxyquinoline-7-carbonitrile
CID 131198350
4-(4-chloro-3-methylphenyl)but-3-enenitrile
CID 170799183
4-(3-hydroxy-4-methylphenyl)but-3-enenitrile
CID 170799291
4-(2-bromo-4-pyridinyl)but-3-enenitrile
CID 170800715
2-(2-methoxyquinolin-6-yl)-2-methylpropanal
CID 88841117

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyquinolin-6-yl)but-3-enenitrile?
The IUPAC name of 4-(2-methoxyquinolin-6-yl)but-3-enenitrile (CID 170800489) is 4-(2-methoxyquinolin-6-yl)but-3-enenitrile.
What is the SMILES notation for 4-(2-methoxyquinolin-6-yl)but-3-enenitrile?
The canonical SMILES for 4-(2-methoxyquinolin-6-yl)but-3-enenitrile is COc1ccc2cc(C=CCC#N)ccc2n1.
What is the InChIKey of 4-(2-methoxyquinolin-6-yl)but-3-enenitrile?
The InChIKey is KQJWVQAPEMALIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-17-14-8-6-12-10-11(4-2-3-9-15)5-7-13(12)16-14/h2,4-8,10H,3H2,1H3.
What are the key properties of 4-(2-methoxyquinolin-6-yl)but-3-enenitrile?
4-(2-methoxyquinolin-6-yl)but-3-enenitrile has a molecular weight of 224.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyquinolin-6-yl)but-3-enenitrile is sourced from PubChem (CID 170800489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).