4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide

C18H19FN4O — CID 133317005

IUPAC4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide
SMILESCc1cc(F)cc2c(NCCCC(=O)NC3CC3)c(C#N)cnc12
InChIInChI=1S/C18H19FN4O/c1-11-7-13(19)8-15-17(11)22-10-12(9-20)18(15)21-6-2-3-16(24)23-14-4-5-14/h7-8,10,14H,2-6H2,1H3,(H,21,22)(H,23,24)
InChIKeyXUBRZGOTWUBXIF-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.02
Rot. Bonds6

About 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide

4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide (PubChem CID 133317005) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide
PubChem CID133317005
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide
SMILESCc1cc(F)cc2c(NCCCC(=O)NC3CC3)c(C#N)cnc12
InChIInChI=1S/C18H19FN4O/c1-11-7-13(19)8-15-17(11)22-10-12(9-20)18(15)21-6-2-3-16(24)23-14-4-5-14/h7-8,10,14H,2-6H2,1H3,(H,21,22)(H,23,24)
InChIKeyXUBRZGOTWUBXIF-UHFFFAOYSA-N
XLogP3.02
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile
CID 133324355
6-fluoro-4-(2-hydroxyethylamino)-8-methylquinoline-3-carbonitrile
CID 133381697
6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile
CID 133317226
6-fluoro-8-methyl-4-[4-(1,2,4-triazol-4-yl)butylamino]quinoline-3-carbonitrile
CID 133325446
4-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-cyclopropylbutanamide
CID 133317003
4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]oxane-4-carboxamide
CID 133430686
N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 127358888
6-fluoro-8-methyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile
CID 133319660
N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide
CID 112703121
6-fluoro-8-methyl-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
CID 133353498
6-fluoro-8-methyl-4-[[1-(2-methylsulfonylethyl)piperidin-4-yl]amino]quinoline-3-carbonitrile
CID 133321542
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

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide (CID 133317005) is 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide is Cc1cc(F)cc2c(NCCCC(=O)NC3CC3)c(C#N)cnc12.
What is the InChIKey of 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide?
The InChIKey is XUBRZGOTWUBXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-11-7-13(19)8-15-17(11)22-10-12(9-20)18(15)21-6-2-3-16(24)23-14-4-5-14/h7-8,10,14H,2-6H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide?
4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide has a molecular weight of 326.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 133317005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).