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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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).