4-[4-(4-bromoquinolin-6-yl)phenyl]morpholine;ethane

C21H23BrN2O — CID 142527672

IUPAC4-[4-(4-bromoquinolin-6-yl)phenyl]morpholine;ethane
SMILESBrc1ccnc2ccc(-c3ccc(N4CCOCC4)cc3)cc12.CC
InChIInChI=1S/C19H17BrN2O.C2H6/c20-18-7-8-21-19-6-3-15(13-17(18)19)14-1-4-16(5-2-14)22-9-11-23-12-10-22;1-2/h1-8,13H,9-12H2;1-2H3
InChIKeyJQVMQOBGKKCHJJ-UHFFFAOYSA-N
MW399.33 g/mol
LogP5.53
Rot. Bonds2

About 4-[4-(4-bromoquinolin-6-yl)phenyl]morpholine;ethane

4-[4-(4-bromoquinolin-6-yl)phenyl]morpholine;ethane (PubChem CID 142527672) has the molecular formula C21H23BrN2O and a molecular weight of 399.33 g/mol. Its IUPAC name is 4-[4-(4-bromoquinolin-6-yl)phenyl]morpholine;ethane.

Molecular Properties

Compound Name4-[4-(4-bromoquinolin-6-yl)phenyl]morpholine;ethane
PubChem CID142527672
Molecular FormulaC21H23BrN2O
Molecular Weight399.33 g/mol
Exact Mass398.10
IUPAC Name4-[4-(4-bromoquinolin-6-yl)phenyl]morpholine;ethane
SMILESBrc1ccnc2ccc(-c3ccc(N4CCOCC4)cc3)cc12.CC
InChIInChI=1S/C19H17BrN2O.C2H6/c20-18-7-8-21-19-6-3-15(13-17(18)19)14-1-4-16(5-2-14)22-9-11-23-12-10-22;1-2/h1-8,13H,9-12H2;1-2H3
InChIKeyJQVMQOBGKKCHJJ-UHFFFAOYSA-N
XLogP5.53
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.33
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

morpholin-4-yl-[6-(4-morpholin-4-ylphenyl)quinolin-4-yl]methanimine
CID 137490334
4-[4-(6-bromoquinazolin-4-yl)phenyl]morpholine
CID 170641265
[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]methanamine
CID 177019277
N-ethyl-6-morpholin-4-ylquinolin-4-amine
CID 63181063
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
4-[4-[4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]phenyl]morpholine
CID 118537751
4-(4-pyridin-4-ylphenyl)morpholine
CID 91005781
4-[4-(4-bromo-1-phenylsulfanylpyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine
CID 144973144
methyl 6-morpholin-4-ylquinoline-4-carboxylate
CID 102941785
1-(4-bromoquinolin-6-yl)piperidine-4-carbonitrile
CID 137490268
4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane
CID 143936489
4-[4-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]phenyl]morpholine
CID 69000477

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromoquinolin-6-yl)phenyl]morpholine;ethane?
The IUPAC name of 4-[4-(4-bromoquinolin-6-yl)phenyl]morpholine;ethane (CID 142527672) is 4-[4-(4-bromoquinolin-6-yl)phenyl]morpholine;ethane.
What is the SMILES notation for 4-[4-(4-bromoquinolin-6-yl)phenyl]morpholine;ethane?
The canonical SMILES for 4-[4-(4-bromoquinolin-6-yl)phenyl]morpholine;ethane is Brc1ccnc2ccc(-c3ccc(N4CCOCC4)cc3)cc12.CC.
What is the InChIKey of 4-[4-(4-bromoquinolin-6-yl)phenyl]morpholine;ethane?
The InChIKey is JQVMQOBGKKCHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O.C2H6/c20-18-7-8-21-19-6-3-15(13-17(18)19)14-1-4-16(5-2-14)22-9-11-23-12-10-22;1-2/h1-8,13H,9-12H2;1-2H3.
What are the key properties of 4-[4-(4-bromoquinolin-6-yl)phenyl]morpholine;ethane?
4-[4-(4-bromoquinolin-6-yl)phenyl]morpholine;ethane has a molecular weight of 399.33 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromoquinolin-6-yl)phenyl]morpholine;ethane is sourced from PubChem (CID 142527672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).