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

C16H20BrN3O — CID 115959136

IUPAC2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccc(Br)c2cccnc12
InChIInChI=1S/C16H20BrN3O/c1-3-8-19-16(21)11(2)20-10-12-6-7-14(17)13-5-4-9-18-15(12)13/h4-7,9,11,20H,3,8,10H2,1-2H3,(H,19,21)
InChIKeyUMVVMBSMXDDRNZ-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.00
Rot. Bonds6

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

2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide (PubChem CID 115959136) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide
PubChem CID115959136
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccc(Br)c2cccnc12
InChIInChI=1S/C16H20BrN3O/c1-3-8-19-16(21)11(2)20-10-12-6-7-14(17)13-5-4-9-18-15(12)13/h4-7,9,11,20H,3,8,10H2,1-2H3,(H,19,21)
InChIKeyUMVVMBSMXDDRNZ-UHFFFAOYSA-N
XLogP3.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutanoic acid
CID 120510503
N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine
CID 112617689
N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine
CID 115958942
N-ethyl-2-(quinolin-8-ylmethylamino)propanamide
CID 43403033
2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 112617830
2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide
CID 112617733
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660
N-[(5-bromoquinolin-8-yl)methyl]-3-methylbutan-1-amine
CID 112617661
ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate
CID 115959237
2-[(2-bromo-4-chlorophenyl)methylamino]-N-propylpropanamide
CID 81495089
(1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine
CID 103940764
5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol
CID 107267644

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide (CID 115959136) is 2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1ccc(Br)c2cccnc12.
What is the InChIKey of 2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide?
The InChIKey is UMVVMBSMXDDRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-3-8-19-16(21)11(2)20-10-12-6-7-14(17)13-5-4-9-18-15(12)13/h4-7,9,11,20H,3,8,10H2,1-2H3,(H,19,21).
What are the key properties of 2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide?
2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide has a molecular weight of 350.26 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 115959136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).