4-(4-ethoxyanilino)quinoline-3-carbonitrile

C18H15N3O — CID 50768656

IUPAC4-(4-ethoxyanilino)quinoline-3-carbonitrile
SMILESCCOc1ccc(Nc2c(C#N)cnc3ccccc23)cc1
InChIInChI=1S/C18H15N3O/c1-2-22-15-9-7-14(8-10-15)21-18-13(11-19)12-20-17-6-4-3-5-16(17)18/h3-10,12H,2H2,1H3,(H,20,21)
InChIKeyVCWUJWNBVAZICN-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.25
Rot. Bonds4

About 4-(4-ethoxyanilino)quinoline-3-carbonitrile

4-(4-ethoxyanilino)quinoline-3-carbonitrile (PubChem CID 50768656) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-(4-ethoxyanilino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(4-ethoxyanilino)quinoline-3-carbonitrile
PubChem CID50768656
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name4-(4-ethoxyanilino)quinoline-3-carbonitrile
SMILESCCOc1ccc(Nc2c(C#N)cnc3ccccc23)cc1
InChIInChI=1S/C18H15N3O/c1-2-22-15-9-7-14(8-10-15)21-18-13(11-19)12-20-17-6-4-3-5-16(17)18/h3-10,12H,2H2,1H3,(H,20,21)
InChIKeyVCWUJWNBVAZICN-UHFFFAOYSA-N
XLogP4.25
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055711
4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055598
4-(4-methylsulfanylanilino)quinoline-3-carbonitrile
CID 43668938
4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride
CID 146055685
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-(3-chloro-4-fluoroanilino)-6-ethoxyquinoline-3-carbonitrile
CID 27655777
4-(4-bromo-3-methylanilino)quinoline-3-carbonitrile
CID 43668947
4-(3-fluoro-4-methylanilino)quinoline-3-carbonitrile
CID 43669035
4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 50768454
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
4-(2-methylanilino)quinoline-3-carbonitrile
CID 10015424
4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile
CID 78885590

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyanilino)quinoline-3-carbonitrile?
The IUPAC name of 4-(4-ethoxyanilino)quinoline-3-carbonitrile (CID 50768656) is 4-(4-ethoxyanilino)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(4-ethoxyanilino)quinoline-3-carbonitrile?
The canonical SMILES for 4-(4-ethoxyanilino)quinoline-3-carbonitrile is CCOc1ccc(Nc2c(C#N)cnc3ccccc23)cc1.
What is the InChIKey of 4-(4-ethoxyanilino)quinoline-3-carbonitrile?
The InChIKey is VCWUJWNBVAZICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-2-22-15-9-7-14(8-10-15)21-18-13(11-19)12-20-17-6-4-3-5-16(17)18/h3-10,12H,2H2,1H3,(H,20,21).
What are the key properties of 4-(4-ethoxyanilino)quinoline-3-carbonitrile?
4-(4-ethoxyanilino)quinoline-3-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyanilino)quinoline-3-carbonitrile is sourced from PubChem (CID 50768656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).