6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile

C19H23FN4O — CID 133317226

IUPAC6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile
SMILESCc1cc(F)cc2c(NCCCCN3CCOCC3)c(C#N)cnc12
InChIInChI=1S/C19H23FN4O/c1-14-10-16(20)11-17-18(14)23-13-15(12-21)19(17)22-4-2-3-5-24-6-8-25-9-7-24/h10-11,13H,2-9H2,1H3,(H,22,23)
InChIKeyMZWQQOZINAWBBY-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.08
Rot. Bonds6

About 6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile

6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile (PubChem CID 133317226) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile
PubChem CID133317226
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile
SMILESCc1cc(F)cc2c(NCCCCN3CCOCC3)c(C#N)cnc12
InChIInChI=1S/C19H23FN4O/c1-14-10-16(20)11-17-18(14)23-13-15(12-21)19(17)22-4-2-3-5-24-6-8-25-9-7-24/h10-11,13H,2-9H2,1H3,(H,22,23)
InChIKeyMZWQQOZINAWBBY-UHFFFAOYSA-N
XLogP3.08
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)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

6-fluoro-8-methyl-4-[4-(1,2,4-triazol-4-yl)butylamino]quinoline-3-carbonitrile
CID 133325446
6-fluoro-4-(2-hydroxyethylamino)-8-methylquinoline-3-carbonitrile
CID 133381697
4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide
CID 133317005
6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile
CID 133352960
4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]oxane-4-carboxamide
CID 133430686
4-(3-bromoanilino)-8-methyl-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile
CID 69257421
6-fluoro-8-methyl-4-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]quinoline-3-carbonitrile
CID 133354374
6-fluoro-8-methyl-4-[[1-(2-methylsulfonylethyl)piperidin-4-yl]amino]quinoline-3-carbonitrile
CID 133321542
6-fluoro-8-methyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile
CID 133319660
3-methyl-2-(3-morpholin-4-ylpropylamino)benzonitrile
CID 107106445
6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile
CID 166214969
6-fluoro-8-methyl-4-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]quinoline-3-carbonitrile
CID 133449212

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile?
The IUPAC name of 6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile (CID 133317226) is 6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile is Cc1cc(F)cc2c(NCCCCN3CCOCC3)c(C#N)cnc12.
What is the InChIKey of 6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile?
The InChIKey is MZWQQOZINAWBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-14-10-16(20)11-17-18(14)23-13-15(12-21)19(17)22-4-2-3-5-24-6-8-25-9-7-24/h10-11,13H,2-9H2,1H3,(H,22,23).
What are the key properties of 6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile?
6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile has a molecular weight of 342.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 133317226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).