6,8-dimethoxy-4-[3-(oxolan-3-yl)propylamino]quinoline-3-carbonitrile

C19H23N3O3 — CID 166235549

IUPAC6,8-dimethoxy-4-[3-(oxolan-3-yl)propylamino]quinoline-3-carbonitrile
SMILESCOc1cc(OC)c2ncc(C#N)c(NCCCC3CCOC3)c2c1
InChIInChI=1S/C19H23N3O3/c1-23-15-8-16-18(21-6-3-4-13-5-7-25-12-13)14(10-20)11-22-19(16)17(9-15)24-2/h8-9,11,13H,3-7,12H2,1-2H3,(H,21,22)
InChIKeyWGAOLQQVWNDXHY-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.35
Rot. Bonds7

About 6,8-dimethoxy-4-[3-(oxolan-3-yl)propylamino]quinoline-3-carbonitrile

6,8-dimethoxy-4-[3-(oxolan-3-yl)propylamino]quinoline-3-carbonitrile (PubChem CID 166235549) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6,8-dimethoxy-4-[3-(oxolan-3-yl)propylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6,8-dimethoxy-4-[3-(oxolan-3-yl)propylamino]quinoline-3-carbonitrile
PubChem CID166235549
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name6,8-dimethoxy-4-[3-(oxolan-3-yl)propylamino]quinoline-3-carbonitrile
SMILESCOc1cc(OC)c2ncc(C#N)c(NCCCC3CCOC3)c2c1
InChIInChI=1S/C19H23N3O3/c1-23-15-8-16-18(21-6-3-4-13-5-7-25-12-13)14(10-20)11-22-19(16)17(9-15)24-2/h8-9,11,13H,3-7,12H2,1-2H3,(H,21,22)
InChIKeyWGAOLQQVWNDXHY-UHFFFAOYSA-N
XLogP3.35
TPSA76.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-4-[3-(oxolan-3-yl)propylamino]quinoline-3-carbonitrile?
The IUPAC name of 6,8-dimethoxy-4-[3-(oxolan-3-yl)propylamino]quinoline-3-carbonitrile (CID 166235549) is 6,8-dimethoxy-4-[3-(oxolan-3-yl)propylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 6,8-dimethoxy-4-[3-(oxolan-3-yl)propylamino]quinoline-3-carbonitrile?
The canonical SMILES for 6,8-dimethoxy-4-[3-(oxolan-3-yl)propylamino]quinoline-3-carbonitrile is COc1cc(OC)c2ncc(C#N)c(NCCCC3CCOC3)c2c1.
What is the InChIKey of 6,8-dimethoxy-4-[3-(oxolan-3-yl)propylamino]quinoline-3-carbonitrile?
The InChIKey is WGAOLQQVWNDXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-23-15-8-16-18(21-6-3-4-13-5-7-25-12-13)14(10-20)11-22-19(16)17(9-15)24-2/h8-9,11,13H,3-7,12H2,1-2H3,(H,21,22).
What are the key properties of 6,8-dimethoxy-4-[3-(oxolan-3-yl)propylamino]quinoline-3-carbonitrile?
6,8-dimethoxy-4-[3-(oxolan-3-yl)propylamino]quinoline-3-carbonitrile has a molecular weight of 341.41 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-4-[3-(oxolan-3-yl)propylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 166235549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).