8-chloro-N-(4-morpholin-4-ylbutyl)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine

C24H25ClF3N3O2 — CID 118658884

IUPAC8-chloro-N-(4-morpholin-4-ylbutyl)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine
SMILESFC(F)(F)Oc1ccc(N(CCCCN2CCOCC2)c2ccc3cccc(Cl)c3n2)cc1
InChIInChI=1S/C24H25ClF3N3O2/c25-21-5-3-4-18-6-11-22(29-23(18)21)31(13-2-1-12-30-14-16-32-17-15-30)19-7-9-20(10-8-19)33-24(26,27)28/h3-11H,1-2,12-17H2
InChIKeyWSYNAXHDNOZXGA-UHFFFAOYSA-N
MW479.93 g/mol
LogP6.04
Rot. Bonds8

About 8-chloro-N-(4-morpholin-4-ylbutyl)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine

8-chloro-N-(4-morpholin-4-ylbutyl)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine (PubChem CID 118658884) has the molecular formula C24H25ClF3N3O2 and a molecular weight of 479.93 g/mol. Its IUPAC name is 8-chloro-N-(4-morpholin-4-ylbutyl)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine.

Molecular Properties

Compound Name8-chloro-N-(4-morpholin-4-ylbutyl)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine
PubChem CID118658884
Molecular FormulaC24H25ClF3N3O2
Molecular Weight479.93 g/mol
Exact Mass479.16
IUPAC Name8-chloro-N-(4-morpholin-4-ylbutyl)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine
SMILESFC(F)(F)Oc1ccc(N(CCCCN2CCOCC2)c2ccc3cccc(Cl)c3n2)cc1
InChIInChI=1S/C24H25ClF3N3O2/c25-21-5-3-4-18-6-11-22(29-23(18)21)31(13-2-1-12-30-14-16-32-17-15-30)19-7-9-20(10-8-19)33-24(26,27)28/h3-11H,1-2,12-17H2
InChIKeyWSYNAXHDNOZXGA-UHFFFAOYSA-N
XLogP6.04
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.93
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-chloro-5-(2-morpholin-4-ylethoxy)-N-(2-morpholin-4-ylethyl)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine;8-chloro-2-N-(2-morpholin-4-ylethyl)-4-N-(3-morpholin-4-ylpropyl)-2-N-[2-nitro-4-(trifluoromethoxy)phenyl]quinoline-2,4-diamine;8-chloro-2-N-(2-morpholin-4-ylethyl)-4-N-(3-morpholin-4-ylpropyl)-2-N-[4-(trifluoromethoxy)phenyl]quinoline-2,4-diamine;1-N-(8-chloroquinolin-2-yl)-1-N-(2-morpholin-4-ylethyl)-4-(trifluoromethoxy)benzene-1,2-diamine;4,8-dichloro-N-(2-morpholin-4-ylethyl)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine
CID 163574398
8-chloro-6-(2-morpholin-4-ylethoxy)-N-[3-(1,4-oxazepan-4-yl)propyl]-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine
CID 170114792
5-(8-chloroquinolin-2-yl)-3-(2-morpholin-4-ylethyl)-4-(trifluoromethoxy)benzene-1,2-diamine
CID 139543965
N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide
CID 90602587
4-[2-[4-(8-chloroquinolin-2-yl)triazol-1-yl]ethyl]morpholine
CID 72858911
2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate
CID 166930213
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 25015279
N-(2-morpholin-4-ylethyl)-2-pyridin-4-ylsulfanyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 90602586
2-[4-cyano-N-[[4-(trifluoromethoxy)phenyl]methyl]anilino]-5-methyl-N-(3-morpholin-4-ylpropylsulfonyl)-1,3-thiazole-4-carboxamide
CID 135354112
2-methylsulfanyl-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
CID 90602545
N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide
CID 29069650
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 90602556

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(4-morpholin-4-ylbutyl)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine?
The IUPAC name of 8-chloro-N-(4-morpholin-4-ylbutyl)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine (CID 118658884) is 8-chloro-N-(4-morpholin-4-ylbutyl)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine.
What is the SMILES notation for 8-chloro-N-(4-morpholin-4-ylbutyl)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine?
The canonical SMILES for 8-chloro-N-(4-morpholin-4-ylbutyl)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine is FC(F)(F)Oc1ccc(N(CCCCN2CCOCC2)c2ccc3cccc(Cl)c3n2)cc1.
What is the InChIKey of 8-chloro-N-(4-morpholin-4-ylbutyl)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine?
The InChIKey is WSYNAXHDNOZXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N3O2/c25-21-5-3-4-18-6-11-22(29-23(18)21)31(13-2-1-12-30-14-16-32-17-15-30)19-7-9-20(10-8-19)33-24(26,27)28/h3-11H,1-2,12-17H2.
What are the key properties of 8-chloro-N-(4-morpholin-4-ylbutyl)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine?
8-chloro-N-(4-morpholin-4-ylbutyl)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine has a molecular weight of 479.93 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(4-morpholin-4-ylbutyl)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine is sourced from PubChem (CID 118658884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).