(6-bromoisoquinolin-3-yl)-morpholin-4-ylmethanone

C14H13BrN2O2 — CID 71249567

IUPAC(6-bromoisoquinolin-3-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2cc(Br)ccc2cn1)N1CCOCC1
InChIInChI=1S/C14H13BrN2O2/c15-12-2-1-10-9-16-13(8-11(10)7-12)14(18)17-3-5-19-6-4-17/h1-2,7-9H,3-6H2
InChIKeyXAMKUBIXOACYKL-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.47
Rot. Bonds1

About (6-bromoisoquinolin-3-yl)-morpholin-4-ylmethanone

(6-bromoisoquinolin-3-yl)-morpholin-4-ylmethanone (PubChem CID 71249567) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is (6-bromoisoquinolin-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(6-bromoisoquinolin-3-yl)-morpholin-4-ylmethanone
PubChem CID71249567
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name(6-bromoisoquinolin-3-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2cc(Br)ccc2cn1)N1CCOCC1
InChIInChI=1S/C14H13BrN2O2/c15-12-2-1-10-9-16-13(8-11(10)7-12)14(18)17-3-5-19-6-4-17/h1-2,7-9H,3-6H2
InChIKeyXAMKUBIXOACYKL-UHFFFAOYSA-N
XLogP2.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184671
N-(6-bromoisoquinolin-3-yl)-1-morpholin-4-ylcyclohexane-1-carboxamide
CID 175342472
isoquinolin-3-yl-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 95861198
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
CID 689338
(6-bromo-1H-benzimidazol-2-yl)-morpholin-4-ylmethanone
CID 129160689
(6-hydroxyquinolin-2-yl)-morpholin-4-ylmethanone
CID 146493098
[5-(aminomethyl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 63723014
azetidin-1-yl-(4-bromo-2-pyridinyl)methanone
CID 53484535
(2-aminopyrimidin-4-yl)-morpholin-4-ylmethanone
CID 117212768
[6-(5-bromo-1,3-dihydroisoindol-2-yl)-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
CID 133471711
[6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114727
tert-butyl 6-bromoisoquinoline-3-carboxylate
CID 133059720

Frequently Asked Questions

What is the IUPAC name of (6-bromoisoquinolin-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (6-bromoisoquinolin-3-yl)-morpholin-4-ylmethanone (CID 71249567) is (6-bromoisoquinolin-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (6-bromoisoquinolin-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (6-bromoisoquinolin-3-yl)-morpholin-4-ylmethanone is O=C(c1cc2cc(Br)ccc2cn1)N1CCOCC1.
What is the InChIKey of (6-bromoisoquinolin-3-yl)-morpholin-4-ylmethanone?
The InChIKey is XAMKUBIXOACYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-12-2-1-10-9-16-13(8-11(10)7-12)14(18)17-3-5-19-6-4-17/h1-2,7-9H,3-6H2.
What are the key properties of (6-bromoisoquinolin-3-yl)-morpholin-4-ylmethanone?
(6-bromoisoquinolin-3-yl)-morpholin-4-ylmethanone has a molecular weight of 321.17 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromoisoquinolin-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 71249567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).