[4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone

C21H17ClF3N3O2 — CID 53052655

IUPAC[4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc2ccccc2c1Nc1cc(C(F)(F)F)ccc1Cl)N1CCOCC1
InChIInChI=1S/C21H17ClF3N3O2/c22-16-6-5-13(21(23,24)25)11-18(16)27-19-14-3-1-2-4-17(14)26-12-15(19)20(29)28-7-9-30-10-8-28/h1-6,11-12H,7-10H2,(H,26,27)
InChIKeyOVNSVCWYCGMZBX-UHFFFAOYSA-N
MW435.83 g/mol
LogP5.12
Rot. Bonds3

About [4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone

[4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone (PubChem CID 53052655) has the molecular formula C21H17ClF3N3O2 and a molecular weight of 435.83 g/mol. Its IUPAC name is [4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone
PubChem CID53052655
Molecular FormulaC21H17ClF3N3O2
Molecular Weight435.83 g/mol
Exact Mass435.10
IUPAC Name[4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc2ccccc2c1Nc1cc(C(F)(F)F)ccc1Cl)N1CCOCC1
InChIInChI=1S/C21H17ClF3N3O2/c22-16-6-5-13(21(23,24)25)11-18(16)27-19-14-3-1-2-4-17(14)26-12-15(19)20(29)28-7-9-30-10-8-28/h1-6,11-12H,7-10H2,(H,26,27)
InChIKeyOVNSVCWYCGMZBX-UHFFFAOYSA-N
XLogP5.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.83
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 27371221
[2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 109252168
[4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001473
[4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001478
[4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001489
[4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 53001687
methyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate
CID 53001664
[6-chloro-4-[3-(trifluoromethyl)anilino]quinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53032710
[4-(2-ethylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 53001536
(4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone
CID 83290736
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-2-carboxamide
CID 109184877
ethyl 4-(2,5-dichloroanilino)-7-(trifluoromethyl)quinoline-3-carboxylate
CID 23477181

Frequently Asked Questions

What is the IUPAC name of [4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone (CID 53052655) is [4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone is O=C(c1cnc2ccccc2c1Nc1cc(C(F)(F)F)ccc1Cl)N1CCOCC1.
What is the InChIKey of [4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is OVNSVCWYCGMZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N3O2/c22-16-6-5-13(21(23,24)25)11-18(16)27-19-14-3-1-2-4-17(14)26-12-15(19)20(29)28-7-9-30-10-8-28/h1-6,11-12H,7-10H2,(H,26,27).
What are the key properties of [4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone?
[4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 435.83 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53052655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).