2-(2-methoxyanilino)quinoline-4-carbonitrile

C17H13N3O — CID 63885647

IUPAC2-(2-methoxyanilino)quinoline-4-carbonitrile
SMILESCOc1ccccc1Nc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C17H13N3O/c1-21-16-9-5-4-8-15(16)20-17-10-12(11-18)13-6-2-3-7-14(13)19-17/h2-10H,1H3,(H,19,20)
InChIKeyDZYWSKBHHVXIHK-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.86
Rot. Bonds3

About 2-(2-methoxyanilino)quinoline-4-carbonitrile

2-(2-methoxyanilino)quinoline-4-carbonitrile (PubChem CID 63885647) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(2-methoxyanilino)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methoxyanilino)quinoline-4-carbonitrile
PubChem CID63885647
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name2-(2-methoxyanilino)quinoline-4-carbonitrile
SMILESCOc1ccccc1Nc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C17H13N3O/c1-21-16-9-5-4-8-15(16)20-17-10-12(11-18)13-6-2-3-7-14(13)19-17/h2-10H,1H3,(H,19,20)
InChIKeyDZYWSKBHHVXIHK-UHFFFAOYSA-N
XLogP3.86
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)quinoline-4-carbonitrile?
The IUPAC name of 2-(2-methoxyanilino)quinoline-4-carbonitrile (CID 63885647) is 2-(2-methoxyanilino)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(2-methoxyanilino)quinoline-4-carbonitrile?
The canonical SMILES for 2-(2-methoxyanilino)quinoline-4-carbonitrile is COc1ccccc1Nc1cc(C#N)c2ccccc2n1.
What is the InChIKey of 2-(2-methoxyanilino)quinoline-4-carbonitrile?
The InChIKey is DZYWSKBHHVXIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-21-16-9-5-4-8-15(16)20-17-10-12(11-18)13-6-2-3-7-14(13)19-17/h2-10H,1H3,(H,19,20).
What are the key properties of 2-(2-methoxyanilino)quinoline-4-carbonitrile?
2-(2-methoxyanilino)quinoline-4-carbonitrile has a molecular weight of 275.31 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)quinoline-4-carbonitrile is sourced from PubChem (CID 63885647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).