4-(7-bromoquinoxalin-2-yl)morpholine;methane;3-morpholin-4-ylquinoxaline-6-carbaldehyde

C27H33BrN6O3 — CID 161351769

IUPAC4-(7-bromoquinoxalin-2-yl)morpholine;methane;3-morpholin-4-ylquinoxaline-6-carbaldehyde
SMILESBrc1ccc2ncc(N3CCOCC3)nc2c1.C.C.O=Cc1ccc2ncc(N3CCOCC3)nc2c1
InChIInChI=1S/C13H13N3O2.C12H12BrN3O.2CH4/c17-9-10-1-2-11-12(7-10)15-13(8-14-11)16-3-5-18-6-4-16;13-9-1-2-10-11(7-9)15-12(8-14-10)16-3-5-17-6-4-16;;/h1-2,7-9H,3-6H2;1-2,7-8H,3-6H2;2*1H4
InChIKeyVOABMJSIEUTRJK-UHFFFAOYSA-N
MW569.50 g/mol
LogP4.78
Rot. Bonds3

About 4-(7-bromoquinoxalin-2-yl)morpholine;methane;3-morpholin-4-ylquinoxaline-6-carbaldehyde

4-(7-bromoquinoxalin-2-yl)morpholine;methane;3-morpholin-4-ylquinoxaline-6-carbaldehyde (PubChem CID 161351769) has the molecular formula C27H33BrN6O3 and a molecular weight of 569.50 g/mol. Its IUPAC name is 4-(7-bromoquinoxalin-2-yl)morpholine;methane;3-morpholin-4-ylquinoxaline-6-carbaldehyde.

Molecular Properties

Compound Name4-(7-bromoquinoxalin-2-yl)morpholine;methane;3-morpholin-4-ylquinoxaline-6-carbaldehyde
PubChem CID161351769
Molecular FormulaC27H33BrN6O3
Molecular Weight569.50 g/mol
Exact Mass568.18
IUPAC Name4-(7-bromoquinoxalin-2-yl)morpholine;methane;3-morpholin-4-ylquinoxaline-6-carbaldehyde
SMILESBrc1ccc2ncc(N3CCOCC3)nc2c1.C.C.O=Cc1ccc2ncc(N3CCOCC3)nc2c1
InChIInChI=1S/C13H13N3O2.C12H12BrN3O.2CH4/c17-9-10-1-2-11-12(7-10)15-13(8-14-11)16-3-5-18-6-4-16;13-9-1-2-10-11(7-9)15-12(8-14-10)16-3-5-17-6-4-16;;/h1-2,7-9H,3-6H2;1-2,7-8H,3-6H2;2*1H4
InChIKeyVOABMJSIEUTRJK-UHFFFAOYSA-N
XLogP4.78
TPSA93.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.50
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(7-bromoquinoxalin-2-yl)azetidin-3-yl]morpholine
CID 175512014
6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde
CID 141453765
4-[7-(3,5-difluorophenyl)quinoxalin-2-yl]morpholine
CID 67035153
(E)-2-(3-morpholin-4-ylquinoxalin-6-yl)prop-1-en-1-amine
CID 143761172
2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline
CID 67035841
bis(2-morpholin-4-ylquinoxalin-6-yl)methanone
CID 151491691
4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
CID 67036137
4-[7-(furan-2-yl)quinoxalin-2-yl]morpholine
CID 173105011
7-bromo-2-isocyanoquinoxaline;7-bromoquinoxaline-2-carbaldehyde;oxolane
CID 160515797
4-quinoxalin-2-yl-1,4-oxazepane
CID 134160732
4-[6-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 154883208
4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine
CID 51042260

Frequently Asked Questions

What is the IUPAC name of 4-(7-bromoquinoxalin-2-yl)morpholine;methane;3-morpholin-4-ylquinoxaline-6-carbaldehyde?
The IUPAC name of 4-(7-bromoquinoxalin-2-yl)morpholine;methane;3-morpholin-4-ylquinoxaline-6-carbaldehyde (CID 161351769) is 4-(7-bromoquinoxalin-2-yl)morpholine;methane;3-morpholin-4-ylquinoxaline-6-carbaldehyde.
What is the SMILES notation for 4-(7-bromoquinoxalin-2-yl)morpholine;methane;3-morpholin-4-ylquinoxaline-6-carbaldehyde?
The canonical SMILES for 4-(7-bromoquinoxalin-2-yl)morpholine;methane;3-morpholin-4-ylquinoxaline-6-carbaldehyde is Brc1ccc2ncc(N3CCOCC3)nc2c1.C.C.O=Cc1ccc2ncc(N3CCOCC3)nc2c1.
What is the InChIKey of 4-(7-bromoquinoxalin-2-yl)morpholine;methane;3-morpholin-4-ylquinoxaline-6-carbaldehyde?
The InChIKey is VOABMJSIEUTRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2.C12H12BrN3O.2CH4/c17-9-10-1-2-11-12(7-10)15-13(8-14-11)16-3-5-18-6-4-16;13-9-1-2-10-11(7-9)15-12(8-14-10)16-3-5-17-6-4-16;;/h1-2,7-9H,3-6H2;1-2,7-8H,3-6H2;2*1H4.
What are the key properties of 4-(7-bromoquinoxalin-2-yl)morpholine;methane;3-morpholin-4-ylquinoxaline-6-carbaldehyde?
4-(7-bromoquinoxalin-2-yl)morpholine;methane;3-morpholin-4-ylquinoxaline-6-carbaldehyde has a molecular weight of 569.50 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bromoquinoxalin-2-yl)morpholine;methane;3-morpholin-4-ylquinoxaline-6-carbaldehyde is sourced from PubChem (CID 161351769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).