5-fluoro-2-methyl-3-[1-[(2-methyl-6-morpholin-4-ylquinolin-4-yl)amino]ethyl]benzonitrile

C24H25FN4O — CID 175500321

IUPAC5-fluoro-2-methyl-3-[1-[(2-methyl-6-morpholin-4-ylquinolin-4-yl)amino]ethyl]benzonitrile
SMILESCc1cc(NC(C)c2cc(F)cc(C#N)c2C)c2cc(N3CCOCC3)ccc2n1
InChIInChI=1S/C24H25FN4O/c1-15-10-24(28-17(3)21-12-19(25)11-18(14-26)16(21)2)22-13-20(4-5-23(22)27-15)29-6-8-30-9-7-29/h4-5,10-13,17H,6-9H2,1-3H3,(H,27,28)
InChIKeyGWCRZUIKRFFEGM-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.87
Rot. Bonds4

About 5-fluoro-2-methyl-3-[1-[(2-methyl-6-morpholin-4-ylquinolin-4-yl)amino]ethyl]benzonitrile

5-fluoro-2-methyl-3-[1-[(2-methyl-6-morpholin-4-ylquinolin-4-yl)amino]ethyl]benzonitrile (PubChem CID 175500321) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is 5-fluoro-2-methyl-3-[1-[(2-methyl-6-morpholin-4-ylquinolin-4-yl)amino]ethyl]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-methyl-3-[1-[(2-methyl-6-morpholin-4-ylquinolin-4-yl)amino]ethyl]benzonitrile
PubChem CID175500321
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name5-fluoro-2-methyl-3-[1-[(2-methyl-6-morpholin-4-ylquinolin-4-yl)amino]ethyl]benzonitrile
SMILESCc1cc(NC(C)c2cc(F)cc(C#N)c2C)c2cc(N3CCOCC3)ccc2n1
InChIInChI=1S/C24H25FN4O/c1-15-10-24(28-17(3)21-12-19(25)11-18(14-26)16(21)2)22-13-20(4-5-23(22)27-15)29-6-8-30-9-7-29/h4-5,10-13,17H,6-9H2,1-3H3,(H,27,28)
InChIKeyGWCRZUIKRFFEGM-UHFFFAOYSA-N
XLogP4.87
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine
CID 174335664
N-[(1R)-1-(5-amino-2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-piperazin-1-ylquinolin-4-amine
CID 170555816
2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine
CID 170555847
N-[(1R)-1-(5-amino-2-fluoro-3-methylphenyl)ethyl]-2-methyl-6-(4-piperidin-1-ylpiperazin-1-yl)quinolin-4-amine
CID 175500213
2-methyl-3-[(1R)-1-[(8-methyl-3-morpholin-4-ylpyrido[2,3-d]pyridazin-5-yl)amino]ethyl]benzonitrile
CID 168954211
2-[[2-(2-fluorophenyl)-3-methylquinolin-4-yl]amino]-4-morpholin-4-ylbenzonitrile
CID 50906135
2-fluoro-4-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]benzonitrile
CID 171690574
N-[(1R)-1-(3-fluoro-5-methylphenyl)ethyl]-4-methyl-7-morpholin-4-ylphthalazin-1-amine
CID 158500530
1-[[(1R)-1-(3-cyano-2-methylphenyl)ethyl]amino]-4-methyl-7-morpholin-4-ylphthalazine-6-carbonitrile
CID 166548613
1-[4-[4-[[(1R)-1-(5-amino-2-fluoro-3-methylphenyl)ethyl]amino]-2-methylquinolin-6-yl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 170555844
2-methyl-3-[(1R)-1-[[4-methyl-7-(5-methyl-8-oxa-2,5-diazaspiro[3.5]nonan-2-yl)phthalazin-1-yl]amino]ethyl]benzonitrile
CID 156527555
6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 108802559

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-3-[1-[(2-methyl-6-morpholin-4-ylquinolin-4-yl)amino]ethyl]benzonitrile?
The IUPAC name of 5-fluoro-2-methyl-3-[1-[(2-methyl-6-morpholin-4-ylquinolin-4-yl)amino]ethyl]benzonitrile (CID 175500321) is 5-fluoro-2-methyl-3-[1-[(2-methyl-6-morpholin-4-ylquinolin-4-yl)amino]ethyl]benzonitrile.
What is the SMILES notation for 5-fluoro-2-methyl-3-[1-[(2-methyl-6-morpholin-4-ylquinolin-4-yl)amino]ethyl]benzonitrile?
The canonical SMILES for 5-fluoro-2-methyl-3-[1-[(2-methyl-6-morpholin-4-ylquinolin-4-yl)amino]ethyl]benzonitrile is Cc1cc(NC(C)c2cc(F)cc(C#N)c2C)c2cc(N3CCOCC3)ccc2n1.
What is the InChIKey of 5-fluoro-2-methyl-3-[1-[(2-methyl-6-morpholin-4-ylquinolin-4-yl)amino]ethyl]benzonitrile?
The InChIKey is GWCRZUIKRFFEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-15-10-24(28-17(3)21-12-19(25)11-18(14-26)16(21)2)22-13-20(4-5-23(22)27-15)29-6-8-30-9-7-29/h4-5,10-13,17H,6-9H2,1-3H3,(H,27,28).
What are the key properties of 5-fluoro-2-methyl-3-[1-[(2-methyl-6-morpholin-4-ylquinolin-4-yl)amino]ethyl]benzonitrile?
5-fluoro-2-methyl-3-[1-[(2-methyl-6-morpholin-4-ylquinolin-4-yl)amino]ethyl]benzonitrile has a molecular weight of 404.49 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-3-[1-[(2-methyl-6-morpholin-4-ylquinolin-4-yl)amino]ethyl]benzonitrile is sourced from PubChem (CID 175500321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).