6-[amino-(5-bromo-1H-imidazol-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one

C14H15BrN4O — CID 116835290

IUPAC6-[amino-(5-bromo-1H-imidazol-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(N)c3ncc(Br)[nH]3)ccc21
InChIInChI=1S/C14H15BrN4O/c1-19-10-4-2-9(6-8(10)3-5-12(19)20)13(16)14-17-7-11(15)18-14/h2,4,6-7,13H,3,5,16H2,1H3,(H,17,18)
InChIKeyQHJOGXBROGZQPL-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.13
Rot. Bonds2

About 6-[amino-(5-bromo-1H-imidazol-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[amino-(5-bromo-1H-imidazol-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 116835290) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 6-[amino-(5-bromo-1H-imidazol-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[amino-(5-bromo-1H-imidazol-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID116835290
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name6-[amino-(5-bromo-1H-imidazol-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(N)c3ncc(Br)[nH]3)ccc21
InChIInChI=1S/C14H15BrN4O/c1-19-10-4-2-9(6-8(10)3-5-12(19)20)13(16)14-17-7-11(15)18-14/h2,4,6-7,13H,3,5,16H2,1H3,(H,17,18)
InChIKeyQHJOGXBROGZQPL-UHFFFAOYSA-N
XLogP2.13
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-amino-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105964
6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116932774
6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116937542
6-[(4-bromophenyl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63105040
6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116859555
6-[amino(azetidin-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116935319
6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116942089
3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 116851226
6-[bromo-(3-bromothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63797858
6-[amino-(3-methoxythiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 81122117
5-[amino-(5-bromo-1H-imidazol-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 116835342
1-methyl-6-[1-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 63105201

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(5-bromo-1H-imidazol-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[amino-(5-bromo-1H-imidazol-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 116835290) is 6-[amino-(5-bromo-1H-imidazol-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[amino-(5-bromo-1H-imidazol-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[amino-(5-bromo-1H-imidazol-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(N)c3ncc(Br)[nH]3)ccc21.
What is the InChIKey of 6-[amino-(5-bromo-1H-imidazol-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is QHJOGXBROGZQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-19-10-4-2-9(6-8(10)3-5-12(19)20)13(16)14-17-7-11(15)18-14/h2,4,6-7,13H,3,5,16H2,1H3,(H,17,18).
What are the key properties of 6-[amino-(5-bromo-1H-imidazol-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[amino-(5-bromo-1H-imidazol-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 335.21 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(5-bromo-1H-imidazol-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 116835290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).