2-[(5-bromoquinolin-8-yl)methylamino]-N-(2-methoxyethyl)acetamide

C15H18BrN3O2 — CID 115967899

IUPAC2-[(5-bromoquinolin-8-yl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCc1ccc(Br)c2cccnc12
InChIInChI=1S/C15H18BrN3O2/c1-21-8-7-18-14(20)10-17-9-11-4-5-13(16)12-3-2-6-19-15(11)12/h2-6,17H,7-10H2,1H3,(H,18,20)
InChIKeyPNLBEQDODHZRGP-UHFFFAOYSA-N
MW352.23 g/mol
LogP1.85
Rot. Bonds7

About 2-[(5-bromoquinolin-8-yl)methylamino]-N-(2-methoxyethyl)acetamide

2-[(5-bromoquinolin-8-yl)methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 115967899) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-[(5-bromoquinolin-8-yl)methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromoquinolin-8-yl)methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID115967899
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name2-[(5-bromoquinolin-8-yl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCc1ccc(Br)c2cccnc12
InChIInChI=1S/C15H18BrN3O2/c1-21-8-7-18-14(20)10-17-9-11-4-5-13(16)12-3-2-6-19-15(11)12/h2-6,17H,7-10H2,1H3,(H,18,20)
InChIKeyPNLBEQDODHZRGP-UHFFFAOYSA-N
XLogP1.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 112723633
N-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 115959258
N-[(5-bromoquinolin-8-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 115959068
4-[(5-bromoquinolin-8-yl)methylamino]butanoic acid
CID 112617701
2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide
CID 112699417
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660
N-[(5-bromoquinolin-8-yl)methyl]-3-methylbutan-1-amine
CID 112617661
5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol
CID 107267644
2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide
CID 115959136
4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol
CID 115968064
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 35605521

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromoquinolin-8-yl)methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(5-bromoquinolin-8-yl)methylamino]-N-(2-methoxyethyl)acetamide (CID 115967899) is 2-[(5-bromoquinolin-8-yl)methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(5-bromoquinolin-8-yl)methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(5-bromoquinolin-8-yl)methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNCc1ccc(Br)c2cccnc12.
What is the InChIKey of 2-[(5-bromoquinolin-8-yl)methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is PNLBEQDODHZRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-21-8-7-18-14(20)10-17-9-11-4-5-13(16)12-3-2-6-19-15(11)12/h2-6,17H,7-10H2,1H3,(H,18,20).
What are the key properties of 2-[(5-bromoquinolin-8-yl)methylamino]-N-(2-methoxyethyl)acetamide?
2-[(5-bromoquinolin-8-yl)methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 352.23 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromoquinolin-8-yl)methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 115967899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).