[6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone

C21H19BrN2O3 — CID 2965405

IUPAC[6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCOCC3)c3cc(Br)ccc3n2)c1
InChIInChI=1S/C21H19BrN2O3/c1-26-16-4-2-3-14(11-16)20-13-18(21(25)24-7-9-27-10-8-24)17-12-15(22)5-6-19(17)23-20/h2-6,11-13H,7-10H2,1H3
InChIKeyRJMLWTRDSYQQEX-UHFFFAOYSA-N
MW427.30 g/mol
LogP4.15
Rot. Bonds3

About [6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone

[6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 2965405) has the molecular formula C21H19BrN2O3 and a molecular weight of 427.30 g/mol. Its IUPAC name is [6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID2965405
Molecular FormulaC21H19BrN2O3
Molecular Weight427.30 g/mol
Exact Mass426.06
IUPAC Name[6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCOCC3)c3cc(Br)ccc3n2)c1
InChIInChI=1S/C21H19BrN2O3/c1-26-16-4-2-3-14(11-16)20-13-18(21(25)24-7-9-27-10-8-24)17-12-15(22)5-6-19(17)23-20/h2-6,11-13H,7-10H2,1H3
InChIKeyRJMLWTRDSYQQEX-UHFFFAOYSA-N
XLogP4.15
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42750037
6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate
CID 5103273
[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 134801381
[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 896066
[2-(3-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4256561
[2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl]-morpholin-4-ylmethanone
CID 1023123
(4-benzylpiperazin-1-yl)-[6-bromo-2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 5226155
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4244399
6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 3276685
[2-(3-bromophenyl)-6-methylquinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 2220574
[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 35330401
[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 1261463

Frequently Asked Questions

What is the IUPAC name of [6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone (CID 2965405) is [6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone is COc1cccc(-c2cc(C(=O)N3CCOCC3)c3cc(Br)ccc3n2)c1.
What is the InChIKey of [6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is RJMLWTRDSYQQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3/c1-26-16-4-2-3-14(11-16)20-13-18(21(25)24-7-9-27-10-8-24)17-12-15(22)5-6-19(17)23-20/h2-6,11-13H,7-10H2,1H3.
What are the key properties of [6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone?
[6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 427.30 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2965405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).