2-(8-methoxy-1-methyl-2-oxoquinolin-3-yl)acetonitrile

C13H12N2O2 — CID 84625419

IUPAC2-(8-methoxy-1-methyl-2-oxoquinolin-3-yl)acetonitrile
SMILESCOc1cccc2cc(CC#N)c(=O)n(C)c12
InChIInChI=1S/C13H12N2O2/c1-15-12-9(4-3-5-11(12)17-2)8-10(6-7-14)13(15)16/h3-5,8H,6H2,1-2H3
InChIKeyLXLSBAXARXDJTL-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.61
Rot. Bonds2

About 2-(8-methoxy-1-methyl-2-oxoquinolin-3-yl)acetonitrile

2-(8-methoxy-1-methyl-2-oxoquinolin-3-yl)acetonitrile (PubChem CID 84625419) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(8-methoxy-1-methyl-2-oxoquinolin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(8-methoxy-1-methyl-2-oxoquinolin-3-yl)acetonitrile
PubChem CID84625419
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-(8-methoxy-1-methyl-2-oxoquinolin-3-yl)acetonitrile
SMILESCOc1cccc2cc(CC#N)c(=O)n(C)c12
InChIInChI=1S/C13H12N2O2/c1-15-12-9(4-3-5-11(12)17-2)8-10(6-7-14)13(15)16/h3-5,8H,6H2,1-2H3
InChIKeyLXLSBAXARXDJTL-UHFFFAOYSA-N
XLogP1.61
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-8-methoxy-1-methylquinolin-2-one
CID 4914636
3-(2-aminopropyl)-8-methoxy-1-methylquinolin-2-one
CID 84632285
7-methoxy-1,2-dimethylindole
CID 82279889
8-methoxy-1-methylquinolin-2-one
CID 742791
2-ethyl-7-methoxy-1-methylindole
CID 84662166
2-(1-methyl-2-oxo-6-propan-2-ylquinolin-3-yl)acetonitrile
CID 84629708
8,9-dimethoxy-5-methylbenzo[c]phenanthridin-6-one
CID 10245385
2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile
CID 84767792
azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile
CID 87598174
1-(7-methoxy-1-methylindol-2-yl)-N-methylethanamine
CID 83859915
2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile
CID 131869127
N-tert-butyl-7-methoxy-1-methylindole-2-carboxamide
CID 110855334

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-1-methyl-2-oxoquinolin-3-yl)acetonitrile?
The IUPAC name of 2-(8-methoxy-1-methyl-2-oxoquinolin-3-yl)acetonitrile (CID 84625419) is 2-(8-methoxy-1-methyl-2-oxoquinolin-3-yl)acetonitrile.
What is the SMILES notation for 2-(8-methoxy-1-methyl-2-oxoquinolin-3-yl)acetonitrile?
The canonical SMILES for 2-(8-methoxy-1-methyl-2-oxoquinolin-3-yl)acetonitrile is COc1cccc2cc(CC#N)c(=O)n(C)c12.
What is the InChIKey of 2-(8-methoxy-1-methyl-2-oxoquinolin-3-yl)acetonitrile?
The InChIKey is LXLSBAXARXDJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-15-12-9(4-3-5-11(12)17-2)8-10(6-7-14)13(15)16/h3-5,8H,6H2,1-2H3.
What are the key properties of 2-(8-methoxy-1-methyl-2-oxoquinolin-3-yl)acetonitrile?
2-(8-methoxy-1-methyl-2-oxoquinolin-3-yl)acetonitrile has a molecular weight of 228.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-1-methyl-2-oxoquinolin-3-yl)acetonitrile is sourced from PubChem (CID 84625419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).