12-bromo-4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-chloro-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;morpholine

C34H37BrCl2N10O6 — CID 161359604

IUPAC12-bromo-4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-chloro-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;morpholine
SMILESC1COCCN1.Clc1nc(N2CCOCC2)c2oc3ncc(Br)cc3c2n1.Clc1nc(N2CCOCC2)c2oc3ncc(N4CCOCC4)cc3c2n1
InChIInChI=1S/C17H18ClN5O3.C13H10BrClN4O2.C4H9NO/c18-17-20-13-12-9-11(22-1-5-24-6-2-22)10-19-16(12)26-14(13)15(21-17)23-3-7-25-8-4-23;14-7-5-8-9-10(21-12(8)16-6-7)11(18-13(15)17-9)19-1-3-20-4-2-19;1-3-6-4-2-5-1/h9-10H,1-8H2;5-6H,1-4H2;5H,1-4H2
InChIKeyVOZRJZUCTLIXQV-UHFFFAOYSA-N
MW832.54 g/mol
LogP4.73
Rot. Bonds3

About 12-bromo-4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-chloro-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;morpholine

12-bromo-4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-chloro-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;morpholine (PubChem CID 161359604) has the molecular formula C34H37BrCl2N10O6 and a molecular weight of 832.54 g/mol. Its IUPAC name is 12-bromo-4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-chloro-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;morpholine.

Molecular Properties

Compound Name12-bromo-4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-chloro-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;morpholine
PubChem CID161359604
Molecular FormulaC34H37BrCl2N10O6
Molecular Weight832.54 g/mol
Exact Mass830.15
IUPAC Name12-bromo-4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-chloro-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;morpholine
SMILESC1COCCN1.Clc1nc(N2CCOCC2)c2oc3ncc(Br)cc3c2n1.Clc1nc(N2CCOCC2)c2oc3ncc(N4CCOCC4)cc3c2n1
InChIInChI=1S/C17H18ClN5O3.C13H10BrClN4O2.C4H9NO/c18-17-20-13-12-9-11(22-1-5-24-6-2-22)10-19-16(12)26-14(13)15(21-17)23-3-7-25-8-4-23;14-7-5-8-9-10(21-12(8)16-6-7)11(18-13(15)17-9)19-1-3-20-4-2-19;1-3-6-4-2-5-1/h9-10H,1-8H2;5-6H,1-4H2;5H,1-4H2
InChIKeyVOZRJZUCTLIXQV-UHFFFAOYSA-N
XLogP4.73
TPSA162.29 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.54
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 12-bromo-4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-chloro-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;morpholine with MolForge

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Related Compounds

4-(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)morpholine
CID 168922552
N-[4-[(4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]-2,2,2-trifluoroacetamide
CID 126621021
5-bromo-3-nitropyridine-2-carbonitrile;morpholine;5-morpholin-4-yl-3-nitropyridine-2-carbonitrile
CID 158609111
4-[7-(bromomethyl)-2-chloropyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 90038229
6,8-dibromo-2-chloro-4-pyrrolidin-1-ylquinazoline
CID 114692806
2-chloro-4-morpholin-4-yl-6-pyrrolidin-3-ylfuro[3,2-d]pyrimidine
CID 166164483
5-bromo-2-chloropyrimidin-4-amine;5-bromo-2-morpholin-4-ylpyrimidin-4-amine;morpholine
CID 159059170
4-chloro-12-[(3-methoxyazetidin-1-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(6-fluoro-1H-indol-4-yl)-12-[(3-methoxyazetidin-1-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 159406063
4-(5-bromo-2-chloropyrimidin-4-yl)-1,4-oxazepane
CID 79073002
4-(2,6-dichlorothieno[2,3-d]pyrimidin-4-yl)morpholine
CID 86624262
11,12-dimethyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 53368823
2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 86618417

Frequently Asked Questions

What is the IUPAC name of 12-bromo-4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-chloro-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;morpholine?
The IUPAC name of 12-bromo-4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-chloro-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;morpholine (CID 161359604) is 12-bromo-4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-chloro-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;morpholine.
What is the SMILES notation for 12-bromo-4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-chloro-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;morpholine?
The canonical SMILES for 12-bromo-4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-chloro-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;morpholine is C1COCCN1.Clc1nc(N2CCOCC2)c2oc3ncc(Br)cc3c2n1.Clc1nc(N2CCOCC2)c2oc3ncc(N4CCOCC4)cc3c2n1.
What is the InChIKey of 12-bromo-4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-chloro-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;morpholine?
The InChIKey is VOZRJZUCTLIXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3.C13H10BrClN4O2.C4H9NO/c18-17-20-13-12-9-11(22-1-5-24-6-2-22)10-19-16(12)26-14(13)15(21-17)23-3-7-25-8-4-23;14-7-5-8-9-10(21-12(8)16-6-7)11(18-13(15)17-9)19-1-3-20-4-2-19;1-3-6-4-2-5-1/h9-10H,1-8H2;5-6H,1-4H2;5H,1-4H2.
What are the key properties of 12-bromo-4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-chloro-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;morpholine?
12-bromo-4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-chloro-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;morpholine has a molecular weight of 832.54 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 12-bromo-4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-chloro-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;morpholine is sourced from PubChem (CID 161359604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).