4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-(6-bromo-4-methoxyquinolin-3-yl)morpholine;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine

C51H50Br2ClN11O5S — CID 159049827

IUPAC4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-(6-bromo-4-methoxyquinolin-3-yl)morpholine;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine
SMILESCOc1c(N2CCOCC2)cnc2ccc(Br)cc12.COc1c(N2CCOCC2)cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.Clc1c(N2CCOCC2)cnc2ccc(Br)cc12
InChIInChI=1S/C24H23N7O2S.C14H15BrN2O2.C13H12BrClN2O/c1-29-14-17(12-26-29)16-3-6-22-27-28-24(31(22)15-16)34-18-4-5-20-19(11-18)23(32-2)21(13-25-20)30-7-9-33-10-8-30;1-18-14-11-8-10(15)2-3-12(11)16-9-13(14)17-4-6-19-7-5-17;14-9-1-2-11-10(7-9)13(15)12(8-16-11)17-3-5-18-6-4-17/h3-6,11-15H,7-10H2,1-2H3;2-3,8-9H,4-7H2,1H3;1-2,7-8H,3-6H2
InChIKeyJXCWYWJPZRDCHK-UHFFFAOYSA-N
MW1124.36 g/mol
LogP10.00
Rot. Bonds8

About 4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-(6-bromo-4-methoxyquinolin-3-yl)morpholine;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine

4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-(6-bromo-4-methoxyquinolin-3-yl)morpholine;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine (PubChem CID 159049827) has the molecular formula C51H50Br2ClN11O5S and a molecular weight of 1124.36 g/mol. Its IUPAC name is 4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-(6-bromo-4-methoxyquinolin-3-yl)morpholine;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine.

Molecular Properties

Compound Name4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-(6-bromo-4-methoxyquinolin-3-yl)morpholine;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine
PubChem CID159049827
Molecular FormulaC51H50Br2ClN11O5S
Molecular Weight1124.36 g/mol
Exact Mass1121.18
IUPAC Name4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-(6-bromo-4-methoxyquinolin-3-yl)morpholine;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine
SMILESCOc1c(N2CCOCC2)cnc2ccc(Br)cc12.COc1c(N2CCOCC2)cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.Clc1c(N2CCOCC2)cnc2ccc(Br)cc12
InChIInChI=1S/C24H23N7O2S.C14H15BrN2O2.C13H12BrClN2O/c1-29-14-17(12-26-29)16-3-6-22-27-28-24(31(22)15-16)34-18-4-5-20-19(11-18)23(32-2)21(13-25-20)30-7-9-33-10-8-30;1-18-14-11-8-10(15)2-3-12(11)16-9-13(14)17-4-6-19-7-5-17;14-9-1-2-11-10(7-9)13(15)12(8-16-11)17-3-5-18-6-4-17/h3-6,11-15H,7-10H2,1-2H3;2-3,8-9H,4-7H2,1H3;1-2,7-8H,3-6H2
InChIKeyJXCWYWJPZRDCHK-UHFFFAOYSA-N
XLogP10.00
TPSA142.55 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001124.36
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-(6-bromo-4-methoxyquinolin-3-yl)morpholine;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-(6-bromo-4-methoxyquinolin-3-yl)morpholine;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine?
The IUPAC name of 4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-(6-bromo-4-methoxyquinolin-3-yl)morpholine;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine (CID 159049827) is 4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-(6-bromo-4-methoxyquinolin-3-yl)morpholine;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine.
What is the SMILES notation for 4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-(6-bromo-4-methoxyquinolin-3-yl)morpholine;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine?
The canonical SMILES for 4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-(6-bromo-4-methoxyquinolin-3-yl)morpholine;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine is COc1c(N2CCOCC2)cnc2ccc(Br)cc12.COc1c(N2CCOCC2)cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.Clc1c(N2CCOCC2)cnc2ccc(Br)cc12.
What is the InChIKey of 4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-(6-bromo-4-methoxyquinolin-3-yl)morpholine;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine?
The InChIKey is JXCWYWJPZRDCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2S.C14H15BrN2O2.C13H12BrClN2O/c1-29-14-17(12-26-29)16-3-6-22-27-28-24(31(22)15-16)34-18-4-5-20-19(11-18)23(32-2)21(13-25-20)30-7-9-33-10-8-30;1-18-14-11-8-10(15)2-3-12(11)16-9-13(14)17-4-6-19-7-5-17;14-9-1-2-11-10(7-9)13(15)12(8-16-11)17-3-5-18-6-4-17/h3-6,11-15H,7-10H2,1-2H3;2-3,8-9H,4-7H2,1H3;1-2,7-8H,3-6H2.
What are the key properties of 4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-(6-bromo-4-methoxyquinolin-3-yl)morpholine;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine?
4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-(6-bromo-4-methoxyquinolin-3-yl)morpholine;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine has a molecular weight of 1124.36 g/mol, XLogP of 10.00, 8 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-(6-bromo-4-methoxyquinolin-3-yl)morpholine;4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine is sourced from PubChem (CID 159049827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).