6-chloro-4-morpholin-4-yl-2-(trifluoromethyl)quinoline-3-carbonitrile

C15H11ClF3N3O — CID 135272134

IUPAC6-chloro-4-morpholin-4-yl-2-(trifluoromethyl)quinoline-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)nc2ccc(Cl)cc2c1N1CCOCC1
InChIInChI=1S/C15H11ClF3N3O/c16-9-1-2-12-10(7-9)13(22-3-5-23-6-4-22)11(8-20)14(21-12)15(17,18)19/h1-2,7H,3-6H2
InChIKeyUTCVHGJEHPQOHQ-UHFFFAOYSA-N
MW341.72 g/mol
LogP3.62
Rot. Bonds1

About 6-chloro-4-morpholin-4-yl-2-(trifluoromethyl)quinoline-3-carbonitrile

6-chloro-4-morpholin-4-yl-2-(trifluoromethyl)quinoline-3-carbonitrile (PubChem CID 135272134) has the molecular formula C15H11ClF3N3O and a molecular weight of 341.72 g/mol. Its IUPAC name is 6-chloro-4-morpholin-4-yl-2-(trifluoromethyl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-morpholin-4-yl-2-(trifluoromethyl)quinoline-3-carbonitrile
PubChem CID135272134
Molecular FormulaC15H11ClF3N3O
Molecular Weight341.72 g/mol
Exact Mass341.05
IUPAC Name6-chloro-4-morpholin-4-yl-2-(trifluoromethyl)quinoline-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)nc2ccc(Cl)cc2c1N1CCOCC1
InChIInChI=1S/C15H11ClF3N3O/c16-9-1-2-12-10(7-9)13(22-3-5-23-6-4-22)11(8-20)14(21-12)15(17,18)19/h1-2,7H,3-6H2
InChIKeyUTCVHGJEHPQOHQ-UHFFFAOYSA-N
XLogP3.62
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.72
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-morpholin-4-ylquinoline-3-carbonitrile
CID 10610954
3-chloro-2-methyl-7-morpholin-4-yl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
CID 166075543
4-(6-chloro-4-methylquinolin-2-yl)morpholine
CID 1477208
2-azido-4-morpholin-4-ylquinoline-3-carbonitrile
CID 10612750
6-chloro-2-(4-methylphenyl)-3-morpholin-4-ylquinoline-4-carboxylic acid
CID 16643776
6-chloro-4-phenyl-3-(2-phenylethynyl)-2-(trifluoromethyl)quinoline
CID 171483330
6-chloro-2-(1,2-oxazolidin-2-yl)quinoline-4-carbonitrile
CID 75455040
2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 10244167
6-chloro-2-methyl-4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
CID 134264086
6-chlorofuro[2,3-b]quinoline-4-carbonitrile
CID 86170575
1-morpholin-4-yl-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 930207
4,13-dimorpholin-4-yl-5,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene-3,12-dicarbonitrile
CID 21082935

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-morpholin-4-yl-2-(trifluoromethyl)quinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-morpholin-4-yl-2-(trifluoromethyl)quinoline-3-carbonitrile (CID 135272134) is 6-chloro-4-morpholin-4-yl-2-(trifluoromethyl)quinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-morpholin-4-yl-2-(trifluoromethyl)quinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-morpholin-4-yl-2-(trifluoromethyl)quinoline-3-carbonitrile is N#Cc1c(C(F)(F)F)nc2ccc(Cl)cc2c1N1CCOCC1.
What is the InChIKey of 6-chloro-4-morpholin-4-yl-2-(trifluoromethyl)quinoline-3-carbonitrile?
The InChIKey is UTCVHGJEHPQOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O/c16-9-1-2-12-10(7-9)13(22-3-5-23-6-4-22)11(8-20)14(21-12)15(17,18)19/h1-2,7H,3-6H2.
What are the key properties of 6-chloro-4-morpholin-4-yl-2-(trifluoromethyl)quinoline-3-carbonitrile?
6-chloro-4-morpholin-4-yl-2-(trifluoromethyl)quinoline-3-carbonitrile has a molecular weight of 341.72 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-morpholin-4-yl-2-(trifluoromethyl)quinoline-3-carbonitrile is sourced from PubChem (CID 135272134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).