2-[(3-bromoquinolin-8-yl)amino]-1-morpholin-4-ylethanone

C15H16BrN3O2 — CID 116784204

IUPAC2-[(3-bromoquinolin-8-yl)amino]-1-morpholin-4-ylethanone
SMILESO=C(CNc1cccc2cc(Br)cnc12)N1CCOCC1
InChIInChI=1S/C15H16BrN3O2/c16-12-8-11-2-1-3-13(15(11)18-9-12)17-10-14(20)19-4-6-21-7-5-19/h1-3,8-9,17H,4-7,10H2
InChIKeyFKSSIVXEXHIOSK-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.27
Rot. Bonds3

About 2-[(3-bromoquinolin-8-yl)amino]-1-morpholin-4-ylethanone

2-[(3-bromoquinolin-8-yl)amino]-1-morpholin-4-ylethanone (PubChem CID 116784204) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 2-[(3-bromoquinolin-8-yl)amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3-bromoquinolin-8-yl)amino]-1-morpholin-4-ylethanone
PubChem CID116784204
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name2-[(3-bromoquinolin-8-yl)amino]-1-morpholin-4-ylethanone
SMILESO=C(CNc1cccc2cc(Br)cnc12)N1CCOCC1
InChIInChI=1S/C15H16BrN3O2/c16-12-8-11-2-1-3-13(15(11)18-9-12)17-10-14(20)19-4-6-21-7-5-19/h1-3,8-9,17H,4-7,10H2
InChIKeyFKSSIVXEXHIOSK-UHFFFAOYSA-N
XLogP2.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromoquinolin-8-yl)amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3-bromoquinolin-8-yl)amino]-1-morpholin-4-ylethanone (CID 116784204) is 2-[(3-bromoquinolin-8-yl)amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3-bromoquinolin-8-yl)amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3-bromoquinolin-8-yl)amino]-1-morpholin-4-ylethanone is O=C(CNc1cccc2cc(Br)cnc12)N1CCOCC1.
What is the InChIKey of 2-[(3-bromoquinolin-8-yl)amino]-1-morpholin-4-ylethanone?
The InChIKey is FKSSIVXEXHIOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-12-8-11-2-1-3-13(15(11)18-9-12)17-10-14(20)19-4-6-21-7-5-19/h1-3,8-9,17H,4-7,10H2.
What are the key properties of 2-[(3-bromoquinolin-8-yl)amino]-1-morpholin-4-ylethanone?
2-[(3-bromoquinolin-8-yl)amino]-1-morpholin-4-ylethanone has a molecular weight of 350.22 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromoquinolin-8-yl)amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 116784204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).