8-bromo-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one

C10H11BrN2O — CID 84635515

IUPAC8-bromo-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCNC1CC(=O)Nc2c(Br)cccc21
InChIInChI=1S/C10H11BrN2O/c1-12-8-5-9(14)13-10-6(8)3-2-4-7(10)11/h2-4,8,12H,5H2,1H3,(H,13,14)
InChIKeyJHAAFODEBPMLFJ-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.05
Rot. Bonds1

About 8-bromo-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one

8-bromo-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 84635515) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 8-bromo-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-bromo-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID84635515
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name8-bromo-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCNC1CC(=O)Nc2c(Br)cccc21
InChIInChI=1S/C10H11BrN2O/c1-12-8-5-9(14)13-10-6(8)3-2-4-7(10)11/h2-4,8,12H,5H2,1H3,(H,13,14)
InChIKeyJHAAFODEBPMLFJ-UHFFFAOYSA-N
XLogP2.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-methoxy-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 84620678
3-(2,6-dibromoanilino)pyrrolidine-2,5-dione
CID 107598662
6-methoxy-8-methyl-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 84623530
(3S)-3-(methylamino)pyrrolidine-2,5-dione
CID 98340872
7-bromo-N,1-dimethyl-2,3-dihydroindol-3-amine
CID 83758541
7-bromo-3-pentan-3-yl-1,3-dihydroindol-2-one
CID 106986727
3-(1-adamantyl)-7-bromo-1,3-dihydroindol-2-one
CID 106986661
4-(2-aminoethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 84621055
8-bromo-N-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539404
9-bromo-N-methyl-1,1-dioxo-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 43539606
6-bromo-1-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 115098413
(7R)-7-(2-bromophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52901735

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-bromo-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one (CID 84635515) is 8-bromo-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-bromo-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-bromo-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one is CNC1CC(=O)Nc2c(Br)cccc21.
What is the InChIKey of 8-bromo-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JHAAFODEBPMLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-12-8-5-9(14)13-10-6(8)3-2-4-7(10)11/h2-4,8,12H,5H2,1H3,(H,13,14).
What are the key properties of 8-bromo-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one?
8-bromo-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 255.11 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 84635515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).