8-chloro-2-methoxy-4-propan-2-yloxyquinoline;8-chloro-4-propan-2-yloxy-2-propylquinoline;8-chloro-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;(4-propan-2-yloxycinnolin-7-yl)methanol;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine;(1-propan-2-yloxyphthalazin-6-yl)methanol

C128H149Cl5F3N13O18 — CID 158361938

IUPAC8-chloro-2-methoxy-4-propan-2-yloxyquinoline;8-chloro-4-propan-2-yloxy-2-propylquinoline;8-chloro-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;(4-propan-2-yloxycinnolin-7-yl)methanol;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine;(1-propan-2-yloxyphthalazin-6-yl)methanol
SMILESCC(C)Oc1cc(OCC(F)(F)F)nc2c(Cl)cccc12.CC(C)Oc1cc(OCCN2CCOCC2)nc2c(Cl)cccc12.CC(C)Oc1ccnc2c(Cl)cccc12.CC(C)Oc1cnnc2cc(CO)ccc12.CC(C)Oc1nccc2cc(OCCN3CCOCC3)ccc12.CC(C)Oc1nncc2cc(CO)ccc12.CCCc1cc(OC(C)C)c2cccc(Cl)c2n1.CCOc1cc2ccccc2c(OC(C)C)n1.COc1cc(OC(C)C)c2cccc(Cl)c2n1
InChIInChI=1S/C18H23ClN2O3.C18H24N2O3.C15H18ClNO.C14H13ClF3NO2.C14H17NO2.C13H14ClNO2.C12H12ClNO.2C12H14N2O2/c1-13(2)24-16-12-17(20-18-14(16)4-3-5-15(18)19)23-11-8-21-6-9-22-10-7-21;1-14(2)23-18-17-4-3-16(13-15(17)5-6-19-18)22-12-9-20-7-10-21-11-8-20;1-4-6-11-9-14(18-10(2)3)12-7-5-8-13(16)15(12)17-11;1-8(2)21-11-6-12(20-7-14(16,17)18)19-13-9(11)4-3-5-10(13)15;1-4-16-13-9-11-7-5-6-8-12(11)14(15-13)17-10(2)3;1-8(2)17-11-7-12(16-3)15-13-9(11)5-4-6-10(13)14;1-8(2)15-11-6-7-14-12-9(11)4-3-5-10(12)13;1-8(2)16-12-11-4-3-9(7-15)5-10(11)6-13-14-12;1-8(2)16-12-6-13-14-11-5-9(7-15)3-4-10(11)12/h3-5,12-13H,6-11H2,1-2H3;3-6,13-14H,7-12H2,1-2H3;5,7-10H,4,6H2,1-3H3;3-6,8H,7H2,1-2H3;5-10H,4H2,1-3H3;4-8H,1-3H3;3-8H,1-2H3;2*3-6,8,15H,7H2,1-2H3
InChIKeyGTOSPVGKHAERHO-UHFFFAOYSA-N
MW2391.93 g/mol
LogP29.96
Rot. Bonds35

About 8-chloro-2-methoxy-4-propan-2-yloxyquinoline;8-chloro-4-propan-2-yloxy-2-propylquinoline;8-chloro-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;(4-propan-2-yloxycinnolin-7-yl)methanol;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine;(1-propan-2-yloxyphthalazin-6-yl)methanol

8-chloro-2-methoxy-4-propan-2-yloxyquinoline;8-chloro-4-propan-2-yloxy-2-propylquinoline;8-chloro-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;(4-propan-2-yloxycinnolin-7-yl)methanol;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine;(1-propan-2-yloxyphthalazin-6-yl)methanol (PubChem CID 158361938) has the molecular formula C128H149Cl5F3N13O18 and a molecular weight of 2391.93 g/mol. Its IUPAC name is 8-chloro-2-methoxy-4-propan-2-yloxyquinoline;8-chloro-4-propan-2-yloxy-2-propylquinoline;8-chloro-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;(4-propan-2-yloxycinnolin-7-yl)methanol;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine;(1-propan-2-yloxyphthalazin-6-yl)methanol.

Molecular Properties

Compound Name8-chloro-2-methoxy-4-propan-2-yloxyquinoline;8-chloro-4-propan-2-yloxy-2-propylquinoline;8-chloro-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;(4-propan-2-yloxycinnolin-7-yl)methanol;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine;(1-propan-2-yloxyphthalazin-6-yl)methanol
PubChem CID158361938
Molecular FormulaC128H149Cl5F3N13O18
Molecular Weight2391.93 g/mol
Exact Mass2387.95
IUPAC Name8-chloro-2-methoxy-4-propan-2-yloxyquinoline;8-chloro-4-propan-2-yloxy-2-propylquinoline;8-chloro-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;(4-propan-2-yloxycinnolin-7-yl)methanol;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine;(1-propan-2-yloxyphthalazin-6-yl)methanol
SMILESCC(C)Oc1cc(OCC(F)(F)F)nc2c(Cl)cccc12.CC(C)Oc1cc(OCCN2CCOCC2)nc2c(Cl)cccc12.CC(C)Oc1ccnc2c(Cl)cccc12.CC(C)Oc1cnnc2cc(CO)ccc12.CC(C)Oc1nccc2cc(OCCN3CCOCC3)ccc12.CC(C)Oc1nncc2cc(CO)ccc12.CCCc1cc(OC(C)C)c2cccc(Cl)c2n1.CCOc1cc2ccccc2c(OC(C)C)n1.COc1cc(OC(C)C)c2cccc(Cl)c2n1
InChIInChI=1S/C18H23ClN2O3.C18H24N2O3.C15H18ClNO.C14H13ClF3NO2.C14H17NO2.C13H14ClNO2.C12H12ClNO.2C12H14N2O2/c1-13(2)24-16-12-17(20-18-14(16)4-3-5-15(18)19)23-11-8-21-6-9-22-10-7-21;1-14(2)23-18-17-4-3-16(13-15(17)5-6-19-18)22-12-9-20-7-10-21-11-8-20;1-4-6-11-9-14(18-10(2)3)12-7-5-8-13(16)15(12)17-11;1-8(2)21-11-6-12(20-7-14(16,17)18)19-13-9(11)4-3-5-10(13)15;1-4-16-13-9-11-7-5-6-8-12(11)14(15-13)17-10(2)3;1-8(2)17-11-7-12(16-3)15-13-9(11)5-4-6-10(13)14;1-8(2)15-11-6-7-14-12-9(11)4-3-5-10(12)13;1-8(2)16-12-11-4-3-9(7-15)5-10(11)6-13-14-12;1-8(2)16-12-6-13-14-11-5-9(7-15)3-4-10(11)12/h3-5,12-13H,6-11H2,1-2H3;3-6,13-14H,7-12H2,1-2H3;5,7-10H,4,6H2,1-3H3;3-6,8H,7H2,1-2H3;5-10H,4H2,1-3H3;4-8H,1-3H3;3-8H,1-2H3;2*3-6,8,15H,7H2,1-2H3
InChIKeyGTOSPVGKHAERHO-UHFFFAOYSA-N
XLogP29.96
TPSA336.41 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds35
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002391.93
LogP ≤ 529.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Analyze 8-chloro-2-methoxy-4-propan-2-yloxyquinoline;8-chloro-4-propan-2-yloxy-2-propylquinoline;8-chloro-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;(4-propan-2-yloxycinnolin-7-yl)methanol;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine;(1-propan-2-yloxyphthalazin-6-yl)methanol with MolForge

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Launch Full Analysis

Related Compounds

4-[2-[8-chloro-4-ethoxy-2-(2-methoxyethoxy)quinolin-7-yl]oxyethyl]morpholine
CID 147265335
1-[2-(8-chloro-4-methoxyquinolin-2-yl)oxyethyl]azetidin-3-ol
CID 70990307
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(3H-pyrrol-2-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine
CID 158250402
2-chloropyridine;4-chloropyridine;bis(2-ethoxypyridine);2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;1-methyl-4-(2-pyridin-2-yloxyethyl)piperazine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;4-propoxypyridine;bis(pyridine);pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;4-pyridin-4-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;3-pyridin-2-yloxyprop-1-en-2-ol;2-pyrrolidin-1-ylpyridine;4-(trifluoromethyl)pyridine
CID 160573367
1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43504270
4-[2-(4-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 143504994
aniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline
CID 68685508
3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
CID 67438814
[3-methoxy-5-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 123642977
[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 43516741

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methoxy-4-propan-2-yloxyquinoline;8-chloro-4-propan-2-yloxy-2-propylquinoline;8-chloro-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;(4-propan-2-yloxycinnolin-7-yl)methanol;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine;(1-propan-2-yloxyphthalazin-6-yl)methanol?
The IUPAC name of 8-chloro-2-methoxy-4-propan-2-yloxyquinoline;8-chloro-4-propan-2-yloxy-2-propylquinoline;8-chloro-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;(4-propan-2-yloxycinnolin-7-yl)methanol;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine;(1-propan-2-yloxyphthalazin-6-yl)methanol (CID 158361938) is 8-chloro-2-methoxy-4-propan-2-yloxyquinoline;8-chloro-4-propan-2-yloxy-2-propylquinoline;8-chloro-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;(4-propan-2-yloxycinnolin-7-yl)methanol;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine;(1-propan-2-yloxyphthalazin-6-yl)methanol.
What is the SMILES notation for 8-chloro-2-methoxy-4-propan-2-yloxyquinoline;8-chloro-4-propan-2-yloxy-2-propylquinoline;8-chloro-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;(4-propan-2-yloxycinnolin-7-yl)methanol;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine;(1-propan-2-yloxyphthalazin-6-yl)methanol?
The canonical SMILES for 8-chloro-2-methoxy-4-propan-2-yloxyquinoline;8-chloro-4-propan-2-yloxy-2-propylquinoline;8-chloro-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;(4-propan-2-yloxycinnolin-7-yl)methanol;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine;(1-propan-2-yloxyphthalazin-6-yl)methanol is CC(C)Oc1cc(OCC(F)(F)F)nc2c(Cl)cccc12.CC(C)Oc1cc(OCCN2CCOCC2)nc2c(Cl)cccc12.CC(C)Oc1ccnc2c(Cl)cccc12.CC(C)Oc1cnnc2cc(CO)ccc12.CC(C)Oc1nccc2cc(OCCN3CCOCC3)ccc12.CC(C)Oc1nncc2cc(CO)ccc12.CCCc1cc(OC(C)C)c2cccc(Cl)c2n1.CCOc1cc2ccccc2c(OC(C)C)n1.COc1cc(OC(C)C)c2cccc(Cl)c2n1.
What is the InChIKey of 8-chloro-2-methoxy-4-propan-2-yloxyquinoline;8-chloro-4-propan-2-yloxy-2-propylquinoline;8-chloro-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;(4-propan-2-yloxycinnolin-7-yl)methanol;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine;(1-propan-2-yloxyphthalazin-6-yl)methanol?
The InChIKey is GTOSPVGKHAERHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3.C18H24N2O3.C15H18ClNO.C14H13ClF3NO2.C14H17NO2.C13H14ClNO2.C12H12ClNO.2C12H14N2O2/c1-13(2)24-16-12-17(20-18-14(16)4-3-5-15(18)19)23-11-8-21-6-9-22-10-7-21;1-14(2)23-18-17-4-3-16(13-15(17)5-6-19-18)22-12-9-20-7-10-21-11-8-20;1-4-6-11-9-14(18-10(2)3)12-7-5-8-13(16)15(12)17-11;1-8(2)21-11-6-12(20-7-14(16,17)18)19-13-9(11)4-3-5-10(13)15;1-4-16-13-9-11-7-5-6-8-12(11)14(15-13)17-10(2)3;1-8(2)17-11-7-12(16-3)15-13-9(11)5-4-6-10(13)14;1-8(2)15-11-6-7-14-12-9(11)4-3-5-10(12)13;1-8(2)16-12-11-4-3-9(7-15)5-10(11)6-13-14-12;1-8(2)16-12-6-13-14-11-5-9(7-15)3-4-10(11)12/h3-5,12-13H,6-11H2,1-2H3;3-6,13-14H,7-12H2,1-2H3;5,7-10H,4,6H2,1-3H3;3-6,8H,7H2,1-2H3;5-10H,4H2,1-3H3;4-8H,1-3H3;3-8H,1-2H3;2*3-6,8,15H,7H2,1-2H3.
What are the key properties of 8-chloro-2-methoxy-4-propan-2-yloxyquinoline;8-chloro-4-propan-2-yloxy-2-propylquinoline;8-chloro-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;(4-propan-2-yloxycinnolin-7-yl)methanol;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine;(1-propan-2-yloxyphthalazin-6-yl)methanol?
8-chloro-2-methoxy-4-propan-2-yloxyquinoline;8-chloro-4-propan-2-yloxy-2-propylquinoline;8-chloro-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;(4-propan-2-yloxycinnolin-7-yl)methanol;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine;(1-propan-2-yloxyphthalazin-6-yl)methanol has a molecular weight of 2391.93 g/mol, XLogP of 29.96, 35 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methoxy-4-propan-2-yloxyquinoline;8-chloro-4-propan-2-yloxy-2-propylquinoline;8-chloro-4-propan-2-yloxyquinoline;4-[2-(8-chloro-4-propan-2-yloxyquinolin-2-yl)oxyethyl]morpholine;8-chloro-4-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)quinoline;3-ethoxy-1-propan-2-yloxyisoquinoline;(4-propan-2-yloxycinnolin-7-yl)methanol;4-[2-(1-propan-2-yloxyisoquinolin-6-yl)oxyethyl]morpholine;(1-propan-2-yloxyphthalazin-6-yl)methanol is sourced from PubChem (CID 158361938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).