2-(4-ethoxyanilino)-8-methylquinoline-3-carbonitrile

C19H17N3O — CID 828451

IUPAC2-(4-ethoxyanilino)-8-methylquinoline-3-carbonitrile
SMILESCCOc1ccc(Nc2nc3c(C)cccc3cc2C#N)cc1
InChIInChI=1S/C19H17N3O/c1-3-23-17-9-7-16(8-10-17)21-19-15(12-20)11-14-6-4-5-13(2)18(14)22-19/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyYWRALNFVPUKNRG-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.56
Rot. Bonds4

About 2-(4-ethoxyanilino)-8-methylquinoline-3-carbonitrile

2-(4-ethoxyanilino)-8-methylquinoline-3-carbonitrile (PubChem CID 828451) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-8-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-8-methylquinoline-3-carbonitrile
PubChem CID828451
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-(4-ethoxyanilino)-8-methylquinoline-3-carbonitrile
SMILESCCOc1ccc(Nc2nc3c(C)cccc3cc2C#N)cc1
InChIInChI=1S/C19H17N3O/c1-3-23-17-9-7-16(8-10-17)21-19-15(12-20)11-14-6-4-5-13(2)18(14)22-19/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyYWRALNFVPUKNRG-UHFFFAOYSA-N
XLogP4.56
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-8-methylquinoline-3-carbonitrile?
The IUPAC name of 2-(4-ethoxyanilino)-8-methylquinoline-3-carbonitrile (CID 828451) is 2-(4-ethoxyanilino)-8-methylquinoline-3-carbonitrile.
What is the SMILES notation for 2-(4-ethoxyanilino)-8-methylquinoline-3-carbonitrile?
The canonical SMILES for 2-(4-ethoxyanilino)-8-methylquinoline-3-carbonitrile is CCOc1ccc(Nc2nc3c(C)cccc3cc2C#N)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-8-methylquinoline-3-carbonitrile?
The InChIKey is YWRALNFVPUKNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-3-23-17-9-7-16(8-10-17)21-19-15(12-20)11-14-6-4-5-13(2)18(14)22-19/h4-11H,3H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-ethoxyanilino)-8-methylquinoline-3-carbonitrile?
2-(4-ethoxyanilino)-8-methylquinoline-3-carbonitrile has a molecular weight of 303.37 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-8-methylquinoline-3-carbonitrile is sourced from PubChem (CID 828451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).