4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile

C19H17N3O — CID 50768454

IUPAC4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile
SMILESCCc1ccc(Nc2c(C#N)cnc3ccc(OC)cc23)cc1
InChIInChI=1S/C19H17N3O/c1-3-13-4-6-15(7-5-13)22-19-14(11-20)12-21-18-9-8-16(23-2)10-17(18)19/h4-10,12H,3H2,1-2H3,(H,21,22)
InChIKeyLYEPJYMQDSPFNG-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.42
Rot. Bonds4

About 4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile

4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile (PubChem CID 50768454) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile
PubChem CID50768454
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile
SMILESCCc1ccc(Nc2c(C#N)cnc3ccc(OC)cc23)cc1
InChIInChI=1S/C19H17N3O/c1-3-13-4-6-15(7-5-13)22-19-14(11-20)12-21-18-9-8-16(23-2)10-17(18)19/h4-10,12H,3H2,1-2H3,(H,21,22)
InChIKeyLYEPJYMQDSPFNG-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768369
6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 146055704
4-(3,5-dimethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 97032475
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055711
6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768577
4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile
CID 50768736
4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055598
6-methoxy-4-[3-(trifluoromethyl)anilino]quinoline-3-carbonitrile;hydrochloride
CID 146055732
7-methoxy-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride
CID 146055680
4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride
CID 45283835
4-(4-ethoxyanilino)quinoline-3-carbonitrile
CID 50768656

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile?
The IUPAC name of 4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile (CID 50768454) is 4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile?
The canonical SMILES for 4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile is CCc1ccc(Nc2c(C#N)cnc3ccc(OC)cc23)cc1.
What is the InChIKey of 4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile?
The InChIKey is LYEPJYMQDSPFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-3-13-4-6-15(7-5-13)22-19-14(11-20)12-21-18-9-8-16(23-2)10-17(18)19/h4-10,12H,3H2,1-2H3,(H,21,22).
What are the key properties of 4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile?
4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile has a molecular weight of 303.37 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile is sourced from PubChem (CID 50768454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).