2-[(8-bromoquinolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one

C16H18BrN3O2 — CID 133447521

IUPAC2-[(8-bromoquinolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(Nc1ccnc2c(Br)cccc12)C(=O)N1CCOCC1
InChIInChI=1S/C16H18BrN3O2/c1-11(16(21)20-7-9-22-10-8-20)19-14-5-6-18-15-12(14)3-2-4-13(15)17/h2-6,11H,7-10H2,1H3,(H,18,19)
InChIKeySFHJZQNXFSTQAE-UHFFFAOYSA-N
MW364.24 g/mol
LogP2.66
Rot. Bonds3

About 2-[(8-bromoquinolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one

2-[(8-bromoquinolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 133447521) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is 2-[(8-bromoquinolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(8-bromoquinolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID133447521
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name2-[(8-bromoquinolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(Nc1ccnc2c(Br)cccc12)C(=O)N1CCOCC1
InChIInChI=1S/C16H18BrN3O2/c1-11(16(21)20-7-9-22-10-8-20)19-14-5-6-18-15-12(14)3-2-4-13(15)17/h2-6,11H,7-10H2,1H3,(H,18,19)
InChIKeySFHJZQNXFSTQAE-UHFFFAOYSA-N
XLogP2.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 104777234
3-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-2-carboxamide
CID 107519294
2-[(8-methylquinazolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 133388467
2-[(3-methyl-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 113408683
2-[(3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112551724
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81383364
1-morpholin-4-yl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propan-1-one
CID 81402403
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide
CID 95018401
5-bromo-4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one
CID 114386240
2-[2-methyl-5-(pyridin-2-ylmethyl)anilino]-1-morpholin-4-ylpropan-1-one
CID 167964780
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 115898996
2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one
CID 133447507

Frequently Asked Questions

What is the IUPAC name of 2-[(8-bromoquinolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(8-bromoquinolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one (CID 133447521) is 2-[(8-bromoquinolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(8-bromoquinolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(8-bromoquinolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one is CC(Nc1ccnc2c(Br)cccc12)C(=O)N1CCOCC1.
What is the InChIKey of 2-[(8-bromoquinolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is SFHJZQNXFSTQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-11(16(21)20-7-9-22-10-8-20)19-14-5-6-18-15-12(14)3-2-4-13(15)17/h2-6,11H,7-10H2,1H3,(H,18,19).
What are the key properties of 2-[(8-bromoquinolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
2-[(8-bromoquinolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 364.24 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-bromoquinolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 133447521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).