4-(6-bromoquinolin-4-yl)-2-phenylmorpholine

C19H17BrN2O — CID 51130775

IUPAC4-(6-bromoquinolin-4-yl)-2-phenylmorpholine
SMILESBrc1ccc2nccc(N3CCOC(c4ccccc4)C3)c2c1
InChIInChI=1S/C19H17BrN2O/c20-15-6-7-17-16(12-15)18(8-9-21-17)22-10-11-23-19(13-22)14-4-2-1-3-5-14/h1-9,12,19H,10-11,13H2
InChIKeyMGOJVVIDDBKTJH-UHFFFAOYSA-N
MW369.26 g/mol
LogP4.58
Rot. Bonds2

About 4-(6-bromoquinolin-4-yl)-2-phenylmorpholine

4-(6-bromoquinolin-4-yl)-2-phenylmorpholine (PubChem CID 51130775) has the molecular formula C19H17BrN2O and a molecular weight of 369.26 g/mol. Its IUPAC name is 4-(6-bromoquinolin-4-yl)-2-phenylmorpholine.

Molecular Properties

Compound Name4-(6-bromoquinolin-4-yl)-2-phenylmorpholine
PubChem CID51130775
Molecular FormulaC19H17BrN2O
Molecular Weight369.26 g/mol
Exact Mass368.05
IUPAC Name4-(6-bromoquinolin-4-yl)-2-phenylmorpholine
SMILESBrc1ccc2nccc(N3CCOC(c4ccccc4)C3)c2c1
InChIInChI=1S/C19H17BrN2O/c20-15-6-7-17-16(12-15)18(8-9-21-17)22-10-11-23-19(13-22)14-4-2-1-3-5-14/h1-9,12,19H,10-11,13H2
InChIKeyMGOJVVIDDBKTJH-UHFFFAOYSA-N
XLogP4.58
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromoquinolin-4-yl)-2-phenylmorpholine?
The IUPAC name of 4-(6-bromoquinolin-4-yl)-2-phenylmorpholine (CID 51130775) is 4-(6-bromoquinolin-4-yl)-2-phenylmorpholine.
What is the SMILES notation for 4-(6-bromoquinolin-4-yl)-2-phenylmorpholine?
The canonical SMILES for 4-(6-bromoquinolin-4-yl)-2-phenylmorpholine is Brc1ccc2nccc(N3CCOC(c4ccccc4)C3)c2c1.
What is the InChIKey of 4-(6-bromoquinolin-4-yl)-2-phenylmorpholine?
The InChIKey is MGOJVVIDDBKTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O/c20-15-6-7-17-16(12-15)18(8-9-21-17)22-10-11-23-19(13-22)14-4-2-1-3-5-14/h1-9,12,19H,10-11,13H2.
What are the key properties of 4-(6-bromoquinolin-4-yl)-2-phenylmorpholine?
4-(6-bromoquinolin-4-yl)-2-phenylmorpholine has a molecular weight of 369.26 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromoquinolin-4-yl)-2-phenylmorpholine is sourced from PubChem (CID 51130775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).