3-(8-methoxyquinolin-5-yl)oxirane-2-carbonitrile

C13H10N2O2 — CID 19919171

IUPAC3-(8-methoxyquinolin-5-yl)oxirane-2-carbonitrile
SMILESCOc1ccc(C2OC2C#N)c2cccnc12
InChIInChI=1S/C13H10N2O2/c1-16-10-5-4-9(13-11(7-14)17-13)8-3-2-6-15-12(8)10/h2-6,11,13H,1H3
InChIKeyJYWBJCIKNPTWTL-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.21
Rot. Bonds2

About 3-(8-methoxyquinolin-5-yl)oxirane-2-carbonitrile

3-(8-methoxyquinolin-5-yl)oxirane-2-carbonitrile (PubChem CID 19919171) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-(8-methoxyquinolin-5-yl)oxirane-2-carbonitrile.

Molecular Properties

Compound Name3-(8-methoxyquinolin-5-yl)oxirane-2-carbonitrile
PubChem CID19919171
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name3-(8-methoxyquinolin-5-yl)oxirane-2-carbonitrile
SMILESCOc1ccc(C2OC2C#N)c2cccnc12
InChIInChI=1S/C13H10N2O2/c1-16-10-5-4-9(13-11(7-14)17-13)8-3-2-6-15-12(8)10/h2-6,11,13H,1H3
InChIKeyJYWBJCIKNPTWTL-UHFFFAOYSA-N
XLogP2.21
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-(8-methoxyquinolin-5-yl)oxirane-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methoxy-N,N-dimethylquinolin-5-amine
CID 67991214
1-(8-methoxyquinolin-5-yl)-N-methylmethanamine
CID 16640560
(2R,6S)-4-(8-methoxyquinolin-5-yl)-2,6-dimethylmorpholine
CID 118006697
3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile
CID 39231570
8-methoxyquinoline-5-sulfonyl fluoride
CID 165461293
CID 88936748
CID 88936748
N-[(8-methoxyquinolin-5-yl)methyl]hydroxylamine
CID 117292523
6-methoxyquinoline-5-carbonitrile
CID 603537
2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole
CID 56717633
8-methoxy-5-(1H-1,2,4-triazol-5-yl)quinoline
CID 56858566
8-methoxy-5-piperidin-1-ylquinoline
CID 86218648
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294

Frequently Asked Questions

What is the IUPAC name of 3-(8-methoxyquinolin-5-yl)oxirane-2-carbonitrile?
The IUPAC name of 3-(8-methoxyquinolin-5-yl)oxirane-2-carbonitrile (CID 19919171) is 3-(8-methoxyquinolin-5-yl)oxirane-2-carbonitrile.
What is the SMILES notation for 3-(8-methoxyquinolin-5-yl)oxirane-2-carbonitrile?
The canonical SMILES for 3-(8-methoxyquinolin-5-yl)oxirane-2-carbonitrile is COc1ccc(C2OC2C#N)c2cccnc12.
What is the InChIKey of 3-(8-methoxyquinolin-5-yl)oxirane-2-carbonitrile?
The InChIKey is JYWBJCIKNPTWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-16-10-5-4-9(13-11(7-14)17-13)8-3-2-6-15-12(8)10/h2-6,11,13H,1H3.
What are the key properties of 3-(8-methoxyquinolin-5-yl)oxirane-2-carbonitrile?
3-(8-methoxyquinolin-5-yl)oxirane-2-carbonitrile has a molecular weight of 226.23 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methoxyquinolin-5-yl)oxirane-2-carbonitrile is sourced from PubChem (CID 19919171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).