6-fluoro-7-morpholin-4-yl-4-oxo-1-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-3-carbonitrile

C24H21F4N3O2 — CID 59025632

IUPAC6-fluoro-7-morpholin-4-yl-4-oxo-1-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-3-carbonitrile
SMILESCC(C)(c1ccc(C(F)(F)F)cc1)n1cc(C#N)c(=O)c2cc(F)c(N3CCOCC3)cc21
InChIInChI=1S/C24H21F4N3O2/c1-23(2,16-3-5-17(6-4-16)24(26,27)28)31-14-15(13-29)22(32)18-11-19(25)21(12-20(18)31)30-7-9-33-10-8-30/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyCEHITWJNCVQXFB-UHFFFAOYSA-N
MW459.44 g/mol
LogP4.65
Rot. Bonds3

About 6-fluoro-7-morpholin-4-yl-4-oxo-1-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-3-carbonitrile

6-fluoro-7-morpholin-4-yl-4-oxo-1-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-3-carbonitrile (PubChem CID 59025632) has the molecular formula C24H21F4N3O2 and a molecular weight of 459.44 g/mol. Its IUPAC name is 6-fluoro-7-morpholin-4-yl-4-oxo-1-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-7-morpholin-4-yl-4-oxo-1-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-3-carbonitrile
PubChem CID59025632
Molecular FormulaC24H21F4N3O2
Molecular Weight459.44 g/mol
Exact Mass459.16
IUPAC Name6-fluoro-7-morpholin-4-yl-4-oxo-1-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-3-carbonitrile
SMILESCC(C)(c1ccc(C(F)(F)F)cc1)n1cc(C#N)c(=O)c2cc(F)c(N3CCOCC3)cc21
InChIInChI=1S/C24H21F4N3O2/c1-23(2,16-3-5-17(6-4-16)24(26,27)28)31-14-15(13-29)22(32)18-11-19(25)21(12-20(18)31)30-7-9-33-10-8-30/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyCEHITWJNCVQXFB-UHFFFAOYSA-N
XLogP4.65
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.44
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-7-morpholin-4-yl-4-oxo-1-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-3-carbonitrile with MolForge

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Related Compounds

6-fluoro-7-morpholin-4-yl-4-oxo-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-3-carbonitrile
CID 69450902
7-(azepan-1-yl)-1-[(4-tert-butylphenyl)methyl]-6-fluoro-4-oxoquinoline-3-carbonitrile
CID 71157953
6-fluoro-7-(2-morpholin-4-ylethylamino)-4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carbonitrile
CID 59025598
7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbonitrile
CID 97032687
6-fluoro-7-[2-(1,4-oxazocan-4-yl)ethylamino]-4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carbonitrile
CID 143576347
N-[1-[6-fluoro-7-morpholin-4-yl-4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]quinolin-3-yl]-2-methylbutylidene]-2-(4-fluorophenyl)-N'-methylethanimidamide
CID 143576219
1-ethyl-6-fluoro-3-(3-methylphenyl)sulfonyl-7-morpholin-4-ylquinolin-4-one
CID 20905220
6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinoline-3-carbonitrilium
CID 143576359
2-morpholin-4-ylbenzonitrile
CID 2737012
1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonitrile
CID 97032665
1-(4-amino-2-fluorophenyl)-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
CID 5270917
4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine
CID 58525019

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-morpholin-4-yl-4-oxo-1-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-3-carbonitrile?
The IUPAC name of 6-fluoro-7-morpholin-4-yl-4-oxo-1-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-3-carbonitrile (CID 59025632) is 6-fluoro-7-morpholin-4-yl-4-oxo-1-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 6-fluoro-7-morpholin-4-yl-4-oxo-1-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-3-carbonitrile?
The canonical SMILES for 6-fluoro-7-morpholin-4-yl-4-oxo-1-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-3-carbonitrile is CC(C)(c1ccc(C(F)(F)F)cc1)n1cc(C#N)c(=O)c2cc(F)c(N3CCOCC3)cc21.
What is the InChIKey of 6-fluoro-7-morpholin-4-yl-4-oxo-1-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-3-carbonitrile?
The InChIKey is CEHITWJNCVQXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N3O2/c1-23(2,16-3-5-17(6-4-16)24(26,27)28)31-14-15(13-29)22(32)18-11-19(25)21(12-20(18)31)30-7-9-33-10-8-30/h3-6,11-12,14H,7-10H2,1-2H3.
What are the key properties of 6-fluoro-7-morpholin-4-yl-4-oxo-1-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-3-carbonitrile?
6-fluoro-7-morpholin-4-yl-4-oxo-1-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-3-carbonitrile has a molecular weight of 459.44 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-morpholin-4-yl-4-oxo-1-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 59025632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).