[2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone

C20H17BrN2O3 — CID 8002841

IUPAC[2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(Oc2ccc(Br)cc2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C20H17BrN2O3/c21-14-5-7-15(8-6-14)26-19-13-17(16-3-1-2-4-18(16)22-19)20(24)23-9-11-25-12-10-23/h1-8,13H,9-12H2
InChIKeyBUVHAOIQZRZPNO-UHFFFAOYSA-N
MW413.27 g/mol
LogP4.26
Rot. Bonds3

About [2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone

[2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 8002841) has the molecular formula C20H17BrN2O3 and a molecular weight of 413.27 g/mol. Its IUPAC name is [2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID8002841
Molecular FormulaC20H17BrN2O3
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC Name[2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(Oc2ccc(Br)cc2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C20H17BrN2O3/c21-14-5-7-15(8-6-14)26-19-13-17(16-3-1-2-4-18(16)22-19)20(24)23-9-11-25-12-10-23/h1-8,13H,9-12H2
InChIKeyBUVHAOIQZRZPNO-UHFFFAOYSA-N
XLogP4.26
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)quinoline-4-carboxamide
CID 749895
(2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone
CID 62967322
2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide
CID 1126008
[2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 55829912
[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 35330401
[2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone
CID 62968729
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 7677683
2-(4-bromophenoxy)quinoline-4-carboximidamide
CID 63884544
[2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 899152
[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 1261463
[6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 2965405
(2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone
CID 177077672

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone (CID 8002841) is [2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone is O=C(c1cc(Oc2ccc(Br)cc2)nc2ccccc12)N1CCOCC1.
What is the InChIKey of [2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is BUVHAOIQZRZPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3/c21-14-5-7-15(8-6-14)26-19-13-17(16-3-1-2-4-18(16)22-19)20(24)23-9-11-25-12-10-23/h1-8,13H,9-12H2.
What are the key properties of [2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone?
[2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 413.27 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 8002841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).