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

C66H62Br3Cl2IN12O5S — CID 159028175

IUPAC6-bromo-4-chloro-3-iodoquinoline;4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-[6-bromo-4-(cyclopropylmethoxy)quinolin-3-yl]morpholine;4-[4-(cyclopropylmethoxy)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine
SMILESBrc1ccc2ncc(N3CCOCC3)c(OCC3CC3)c2c1.Clc1c(I)cnc2ccc(Br)cc12.Clc1c(N2CCOCC2)cnc2ccc(Br)cc12.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCOCC6)c(OCC6CC6)c5c4)n3c2)cn1
InChIInChI=1S/C27H27N7O2S.C17H19BrN2O2.C13H12BrClN2O.C9H4BrClIN/c1-32-15-20(13-29-32)19-4-7-25-30-31-27(34(25)16-19)37-21-5-6-23-22(12-21)26(36-17-18-2-3-18)24(14-28-23)33-8-10-35-11-9-33;18-13-3-4-15-14(9-13)17(22-11-12-1-2-12)16(10-19-15)20-5-7-21-8-6-20;14-9-1-2-11-10(7-9)13(15)12(8-16-11)17-3-5-18-6-4-17;10-5-1-2-8-6(3-5)9(11)7(12)4-13-8/h4-7,12-16,18H,2-3,8-11,17H2,1H3;3-4,9-10,12H,1-2,5-8,11H2;1-2,7-8H,3-6H2;1-4H
InChIKeyJUNQSJZXLJMZSJ-UHFFFAOYSA-N
MW1572.89 g/mol
LogP15.82
Rot. Bonds12

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

6-bromo-4-chloro-3-iodoquinoline;4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-[6-bromo-4-(cyclopropylmethoxy)quinolin-3-yl]morpholine;4-[4-(cyclopropylmethoxy)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine (PubChem CID 159028175) has the molecular formula C66H62Br3Cl2IN12O5S and a molecular weight of 1572.89 g/mol. Its IUPAC name is 6-bromo-4-chloro-3-iodoquinoline;4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-[6-bromo-4-(cyclopropylmethoxy)quinolin-3-yl]morpholine;4-[4-(cyclopropylmethoxy)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine.

Molecular Properties

Compound Name6-bromo-4-chloro-3-iodoquinoline;4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-[6-bromo-4-(cyclopropylmethoxy)quinolin-3-yl]morpholine;4-[4-(cyclopropylmethoxy)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine
PubChem CID159028175
Molecular FormulaC66H62Br3Cl2IN12O5S
Molecular Weight1572.89 g/mol
Exact Mass1568.07
IUPAC Name6-bromo-4-chloro-3-iodoquinoline;4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-[6-bromo-4-(cyclopropylmethoxy)quinolin-3-yl]morpholine;4-[4-(cyclopropylmethoxy)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine
SMILESBrc1ccc2ncc(N3CCOCC3)c(OCC3CC3)c2c1.Clc1c(I)cnc2ccc(Br)cc12.Clc1c(N2CCOCC2)cnc2ccc(Br)cc12.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCOCC6)c(OCC6CC6)c5c4)n3c2)cn1
InChIInChI=1S/C27H27N7O2S.C17H19BrN2O2.C13H12BrClN2O.C9H4BrClIN/c1-32-15-20(13-29-32)19-4-7-25-30-31-27(34(25)16-19)37-21-5-6-23-22(12-21)26(36-17-18-2-3-18)24(14-28-23)33-8-10-35-11-9-33;18-13-3-4-15-14(9-13)17(22-11-12-1-2-12)16(10-19-15)20-5-7-21-8-6-20;14-9-1-2-11-10(7-9)13(15)12(8-16-11)17-3-5-18-6-4-17;10-5-1-2-8-6(3-5)9(11)7(12)4-13-8/h4-7,12-16,18H,2-3,8-11,17H2,1H3;3-4,9-10,12H,1-2,5-8,11H2;1-2,7-8H,3-6H2;1-4H
InChIKeyJUNQSJZXLJMZSJ-UHFFFAOYSA-N
XLogP15.82
TPSA155.44 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001572.89
LogP ≤ 515.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 6-bromo-4-chloro-3-iodoquinoline;4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-[6-bromo-4-(cyclopropylmethoxy)quinolin-3-yl]morpholine;4-[4-(cyclopropylmethoxy)-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 6-bromo-4-chloro-3-iodoquinoline;4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-[6-bromo-4-(cyclopropylmethoxy)quinolin-3-yl]morpholine;4-[4-(cyclopropylmethoxy)-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 6-bromo-4-chloro-3-iodoquinoline;4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-[6-bromo-4-(cyclopropylmethoxy)quinolin-3-yl]morpholine;4-[4-(cyclopropylmethoxy)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine (CID 159028175) is 6-bromo-4-chloro-3-iodoquinoline;4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-[6-bromo-4-(cyclopropylmethoxy)quinolin-3-yl]morpholine;4-[4-(cyclopropylmethoxy)-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 6-bromo-4-chloro-3-iodoquinoline;4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-[6-bromo-4-(cyclopropylmethoxy)quinolin-3-yl]morpholine;4-[4-(cyclopropylmethoxy)-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 6-bromo-4-chloro-3-iodoquinoline;4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-[6-bromo-4-(cyclopropylmethoxy)quinolin-3-yl]morpholine;4-[4-(cyclopropylmethoxy)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine is Brc1ccc2ncc(N3CCOCC3)c(OCC3CC3)c2c1.Clc1c(I)cnc2ccc(Br)cc12.Clc1c(N2CCOCC2)cnc2ccc(Br)cc12.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCOCC6)c(OCC6CC6)c5c4)n3c2)cn1.
What is the InChIKey of 6-bromo-4-chloro-3-iodoquinoline;4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-[6-bromo-4-(cyclopropylmethoxy)quinolin-3-yl]morpholine;4-[4-(cyclopropylmethoxy)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine?
The InChIKey is JUNQSJZXLJMZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2S.C17H19BrN2O2.C13H12BrClN2O.C9H4BrClIN/c1-32-15-20(13-29-32)19-4-7-25-30-31-27(34(25)16-19)37-21-5-6-23-22(12-21)26(36-17-18-2-3-18)24(14-28-23)33-8-10-35-11-9-33;18-13-3-4-15-14(9-13)17(22-11-12-1-2-12)16(10-19-15)20-5-7-21-8-6-20;14-9-1-2-11-10(7-9)13(15)12(8-16-11)17-3-5-18-6-4-17;10-5-1-2-8-6(3-5)9(11)7(12)4-13-8/h4-7,12-16,18H,2-3,8-11,17H2,1H3;3-4,9-10,12H,1-2,5-8,11H2;1-2,7-8H,3-6H2;1-4H.
What are the key properties of 6-bromo-4-chloro-3-iodoquinoline;4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-[6-bromo-4-(cyclopropylmethoxy)quinolin-3-yl]morpholine;4-[4-(cyclopropylmethoxy)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine?
6-bromo-4-chloro-3-iodoquinoline;4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-[6-bromo-4-(cyclopropylmethoxy)quinolin-3-yl]morpholine;4-[4-(cyclopropylmethoxy)-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 1572.89 g/mol, XLogP of 15.82, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-3-iodoquinoline;4-(6-bromo-4-chloroquinolin-3-yl)morpholine;4-[6-bromo-4-(cyclopropylmethoxy)quinolin-3-yl]morpholine;4-[4-(cyclopropylmethoxy)-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 159028175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).