8-chloro-6-(2-morpholin-4-ylethoxy)-N-[3-(1,4-oxazepan-4-yl)propyl]-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine

C29H35ClF3N5O3 — CID 170114792

IUPAC8-chloro-6-(2-morpholin-4-ylethoxy)-N-[3-(1,4-oxazepan-4-yl)propyl]-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine
SMILESFC(F)(F)c1ccnc(N(CCCN2CCCOCC2)c2ccc3cc(OCCN4CCOCC4)cc(Cl)c3n2)c1
InChIInChI=1S/C29H35ClF3N5O3/c30-25-21-24(41-18-13-37-11-16-40-17-12-37)19-22-3-4-26(35-28(22)25)38(9-1-7-36-8-2-14-39-15-10-36)27-20-23(5-6-34-27)29(31,32)33/h3-6,19-21H,1-2,7-18H2
InChIKeySEJLIDMCNZULPJ-UHFFFAOYSA-N
MW594.08 g/mol
LogP5.26
Rot. Bonds10

About 8-chloro-6-(2-morpholin-4-ylethoxy)-N-[3-(1,4-oxazepan-4-yl)propyl]-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine

8-chloro-6-(2-morpholin-4-ylethoxy)-N-[3-(1,4-oxazepan-4-yl)propyl]-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine (PubChem CID 170114792) has the molecular formula C29H35ClF3N5O3 and a molecular weight of 594.08 g/mol. Its IUPAC name is 8-chloro-6-(2-morpholin-4-ylethoxy)-N-[3-(1,4-oxazepan-4-yl)propyl]-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine.

Molecular Properties

Compound Name8-chloro-6-(2-morpholin-4-ylethoxy)-N-[3-(1,4-oxazepan-4-yl)propyl]-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine
PubChem CID170114792
Molecular FormulaC29H35ClF3N5O3
Molecular Weight594.08 g/mol
Exact Mass593.24
IUPAC Name8-chloro-6-(2-morpholin-4-ylethoxy)-N-[3-(1,4-oxazepan-4-yl)propyl]-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine
SMILESFC(F)(F)c1ccnc(N(CCCN2CCCOCC2)c2ccc3cc(OCCN4CCOCC4)cc(Cl)c3n2)c1
InChIInChI=1S/C29H35ClF3N5O3/c30-25-21-24(41-18-13-37-11-16-40-17-12-37)19-22-3-4-26(35-28(22)25)38(9-1-7-36-8-2-14-39-15-10-36)27-20-23(5-6-34-27)29(31,32)33/h3-6,19-21H,1-2,7-18H2
InChIKeySEJLIDMCNZULPJ-UHFFFAOYSA-N
XLogP5.26
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.08
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-chloro-6-(2-morpholin-4-ylethoxy)-N-[3-(1,4-oxazepan-4-yl)propyl]-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine with MolForge

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Related Compounds

8-chloro-N-(4-morpholin-4-ylbutyl)-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine
CID 118658884
1-[2-[3-chloro-5-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 58946161
4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine
CID 170870105
8-chloro-5-(2-morpholin-4-ylethoxy)-N-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydroquinolin-2-amine
CID 162590596
[4-(2-morpholin-4-ylethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 70473463
4-[2-(4-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 143504994
4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine
CID 170869712
4-[2-[4-(2-chloropyrimidin-4-yl)phenoxy]ethyl]morpholine
CID 58930607
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
3-[3-(1,4-oxazepan-4-yl)propoxy]benzoic acid
CID 63075111
N-tert-butyl-2-chloro-5-(2-morpholin-4-ylethoxy)aniline
CID 59587703
2-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-[3-(trifluoromethyl)phenoxy]-1,3-benzoxazole
CID 72946732

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(2-morpholin-4-ylethoxy)-N-[3-(1,4-oxazepan-4-yl)propyl]-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine?
The IUPAC name of 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) is 8-chloro-6-(2-morpholin-4-ylethoxy)-N-[3-(1,4-oxazepan-4-yl)propyl]-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine.
What is the SMILES notation for 8-chloro-6-(2-morpholin-4-ylethoxy)-N-[3-(1,4-oxazepan-4-yl)propyl]-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine?
The canonical SMILES for 8-chloro-6-(2-morpholin-4-ylethoxy)-N-[3-(1,4-oxazepan-4-yl)propyl]-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine is FC(F)(F)c1ccnc(N(CCCN2CCCOCC2)c2ccc3cc(OCCN4CCOCC4)cc(Cl)c3n2)c1.
What is the InChIKey of 8-chloro-6-(2-morpholin-4-ylethoxy)-N-[3-(1,4-oxazepan-4-yl)propyl]-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine?
The InChIKey is SEJLIDMCNZULPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClF3N5O3/c30-25-21-24(41-18-13-37-11-16-40-17-12-37)19-22-3-4-26(35-28(22)25)38(9-1-7-36-8-2-14-39-15-10-36)27-20-23(5-6-34-27)29(31,32)33/h3-6,19-21H,1-2,7-18H2.
What are the key properties of 8-chloro-6-(2-morpholin-4-ylethoxy)-N-[3-(1,4-oxazepan-4-yl)propyl]-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine?
8-chloro-6-(2-morpholin-4-ylethoxy)-N-[3-(1,4-oxazepan-4-yl)propyl]-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine has a molecular weight of 594.08 g/mol, XLogP of 5.26, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(2-morpholin-4-ylethoxy)-N-[3-(1,4-oxazepan-4-yl)propyl]-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine is sourced from PubChem (CID 170114792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).