3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile

C19H16N2O3 — CID 39231570

IUPAC3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile
SMILESCOc1cc(C#N)cc(-c2ccc(OC)c3ncccc23)c1OC
InChIInChI=1S/C19H16N2O3/c1-22-16-7-6-13(14-5-4-8-21-18(14)16)15-9-12(11-20)10-17(23-2)19(15)24-3/h4-10H,1-3H3
InChIKeyXHSHLYOKMLZCSP-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.80
Rot. Bonds4

About 3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile

3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile (PubChem CID 39231570) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile.

Molecular Properties

Compound Name3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile
PubChem CID39231570
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile
SMILESCOc1cc(C#N)cc(-c2ccc(OC)c3ncccc23)c1OC
InChIInChI=1S/C19H16N2O3/c1-22-16-7-6-13(14-5-4-8-21-18(14)16)15-9-12(11-20)10-17(23-2)19(15)24-3/h4-10H,1-3H3
InChIKeyXHSHLYOKMLZCSP-UHFFFAOYSA-N
XLogP3.80
TPSA64.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine
CID 82039989
3,4-dimethoxy-5-pyridin-3-ylbenzonitrile
CID 39231339
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde
CID 82039986
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039992
8-methoxy-5-(1H-1,2,4-triazol-5-yl)quinoline
CID 56858566
3-(1H-indol-5-yl)-4,5-dimethoxybenzonitrile
CID 39231418
2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole
CID 56717633
3-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039973
3-(8-methoxyquinolin-5-yl)oxirane-2-carbonitrile
CID 19919171
8-methoxy-N,N-dimethylquinolin-5-amine
CID 67991214
1-(8-methoxyquinolin-5-yl)-N-methylmethanamine
CID 16640560
4-[(2-amino-3-pyridinyl)amino]-3-methoxybenzonitrile
CID 104847940

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile?
The IUPAC name of 3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile (CID 39231570) is 3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile.
What is the SMILES notation for 3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile?
The canonical SMILES for 3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile is COc1cc(C#N)cc(-c2ccc(OC)c3ncccc23)c1OC.
What is the InChIKey of 3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile?
The InChIKey is XHSHLYOKMLZCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-22-16-7-6-13(14-5-4-8-21-18(14)16)15-9-12(11-20)10-17(23-2)19(15)24-3/h4-10H,1-3H3.
What are the key properties of 3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile?
3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile has a molecular weight of 320.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile is sourced from PubChem (CID 39231570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).