6-amino-4-(4-fluoro-3-methylanilino)-7-(2-methoxyethoxy)quinoline-3-carbonitrile

C20H19FN4O2 — CID 70661673

IUPAC6-amino-4-(4-fluoro-3-methylanilino)-7-(2-methoxyethoxy)quinoline-3-carbonitrile
SMILESCOCCOc1cc2ncc(C#N)c(Nc3ccc(F)c(C)c3)c2cc1N
InChIInChI=1S/C20H19FN4O2/c1-12-7-14(3-4-16(12)21)25-20-13(10-22)11-24-18-9-19(27-6-5-26-2)17(23)8-15(18)20/h3-4,7-9,11H,5-6,23H2,1-2H3,(H,24,25)
InChIKeyTVWDPXAYNOIESX-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.90
Rot. Bonds6

About 6-amino-4-(4-fluoro-3-methylanilino)-7-(2-methoxyethoxy)quinoline-3-carbonitrile

6-amino-4-(4-fluoro-3-methylanilino)-7-(2-methoxyethoxy)quinoline-3-carbonitrile (PubChem CID 70661673) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 6-amino-4-(4-fluoro-3-methylanilino)-7-(2-methoxyethoxy)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(4-fluoro-3-methylanilino)-7-(2-methoxyethoxy)quinoline-3-carbonitrile
PubChem CID70661673
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name6-amino-4-(4-fluoro-3-methylanilino)-7-(2-methoxyethoxy)quinoline-3-carbonitrile
SMILESCOCCOc1cc2ncc(C#N)c(Nc3ccc(F)c(C)c3)c2cc1N
InChIInChI=1S/C20H19FN4O2/c1-12-7-14(3-4-16(12)21)25-20-13(10-22)11-24-18-9-19(27-6-5-26-2)17(23)8-15(18)20/h3-4,7-9,11H,5-6,23H2,1-2H3,(H,24,25)
InChIKeyTVWDPXAYNOIESX-UHFFFAOYSA-N
XLogP3.90
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-amino-4-(4-fluoro-3-methylanilino)-7-(2-methoxyethoxy)quinoline-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

7-(1,1-dideuterioethoxy)-4-(4-fluoro-3-methylanilino)-6-[(E)-3,4,5,5-tetradeuterio-5-(dimethylamino)-2-oxopent-3-enyl]quinoline-3-carbonitrile
CID 58385231
4-[4-(3-fluorophenoxy)-3-methoxyanilino]-6,7-bis(2-methoxyethoxy)quinoline-3-carbonitrile
CID 69053180
4-(4-fluoroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
7-ethoxy-4-(4-fluoro-3-methylanilino)-6-[(E)-5-[methyl(trideuteriomethyl)amino]-2-oxopent-3-enyl]quinoline-3-carbonitrile
CID 58384893
7-(2-chloroethoxy)-4-(3-hydroxy-4-methylanilino)-6-methoxyquinoline-3-carbonitrile
CID 22466649
7-(1,1-dideuterioethoxy)-4-(4-fluoro-3-methylanilino)-6-[(E)-5-[methyl(trideuteriomethyl)amino]-2-oxopent-3-enyl]quinoline-3-carbonitrile
CID 58385096
6-amino-7-ethoxy-4-methylquinoline-3-carbonitrile
CID 89103315
7-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]oxy-N-hydroxyheptanamide
CID 85471342
6-amino-4-(3-fluoro-4-methoxyanilino)-7-propoxycinnoline-3-carbonitrile
CID 145053261
4-(3-fluoro-4-methylanilino)quinoline-3-carbonitrile
CID 43669035
4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 69180814
4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055597

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(4-fluoro-3-methylanilino)-7-(2-methoxyethoxy)quinoline-3-carbonitrile?
The IUPAC name of 6-amino-4-(4-fluoro-3-methylanilino)-7-(2-methoxyethoxy)quinoline-3-carbonitrile (CID 70661673) is 6-amino-4-(4-fluoro-3-methylanilino)-7-(2-methoxyethoxy)quinoline-3-carbonitrile.
What is the SMILES notation for 6-amino-4-(4-fluoro-3-methylanilino)-7-(2-methoxyethoxy)quinoline-3-carbonitrile?
The canonical SMILES for 6-amino-4-(4-fluoro-3-methylanilino)-7-(2-methoxyethoxy)quinoline-3-carbonitrile is COCCOc1cc2ncc(C#N)c(Nc3ccc(F)c(C)c3)c2cc1N.
What is the InChIKey of 6-amino-4-(4-fluoro-3-methylanilino)-7-(2-methoxyethoxy)quinoline-3-carbonitrile?
The InChIKey is TVWDPXAYNOIESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-12-7-14(3-4-16(12)21)25-20-13(10-22)11-24-18-9-19(27-6-5-26-2)17(23)8-15(18)20/h3-4,7-9,11H,5-6,23H2,1-2H3,(H,24,25).
What are the key properties of 6-amino-4-(4-fluoro-3-methylanilino)-7-(2-methoxyethoxy)quinoline-3-carbonitrile?
6-amino-4-(4-fluoro-3-methylanilino)-7-(2-methoxyethoxy)quinoline-3-carbonitrile has a molecular weight of 366.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(4-fluoro-3-methylanilino)-7-(2-methoxyethoxy)quinoline-3-carbonitrile is sourced from PubChem (CID 70661673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).