6-bromo-4-[(dimethylamino)methyl]-1-(2-hydroxyethyl)quinolin-2-one

C14H17BrN2O2 — CID 178046418

IUPAC6-bromo-4-[(dimethylamino)methyl]-1-(2-hydroxyethyl)quinolin-2-one
SMILESCN(C)Cc1cc(=O)n(CCO)c2ccc(Br)cc12
InChIInChI=1S/C14H17BrN2O2/c1-16(2)9-10-7-14(19)17(5-6-18)13-4-3-11(15)8-12(10)13/h3-4,7-8,18H,5-6,9H2,1-2H3
InChIKeyMWYIPHJJAPWDJD-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.82
Rot. Bonds4

About 6-bromo-4-[(dimethylamino)methyl]-1-(2-hydroxyethyl)quinolin-2-one

6-bromo-4-[(dimethylamino)methyl]-1-(2-hydroxyethyl)quinolin-2-one (PubChem CID 178046418) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 6-bromo-4-[(dimethylamino)methyl]-1-(2-hydroxyethyl)quinolin-2-one.

Molecular Properties

Compound Name6-bromo-4-[(dimethylamino)methyl]-1-(2-hydroxyethyl)quinolin-2-one
PubChem CID178046418
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name6-bromo-4-[(dimethylamino)methyl]-1-(2-hydroxyethyl)quinolin-2-one
SMILESCN(C)Cc1cc(=O)n(CCO)c2ccc(Br)cc12
InChIInChI=1S/C14H17BrN2O2/c1-16(2)9-10-7-14(19)17(5-6-18)13-4-3-11(15)8-12(10)13/h3-4,7-8,18H,5-6,9H2,1-2H3
InChIKeyMWYIPHJJAPWDJD-UHFFFAOYSA-N
XLogP1.82
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(6-bromo-1-cyclopropyl-2-oxoquinolin-4-yl)methyl]-N-methylcarbamate
CID 178046497
6-bromo-9-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
CID 11544068
4-acetyl-6-bromo-1-ethylquinolin-2-one
CID 134910530
2-(6-bromo-3-ethylindol-1-yl)ethanol
CID 83946660
2,7-dibromo-10-butylacridin-9-one
CID 86036844
1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone
CID 83948117
5-bromo-3-(2-hydroxyethyl)-1,3-benzoxazol-2-one
CID 169260396
1-(5-bromo-1-methylindol-3-yl)propan-2-ol
CID 83675916
7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one
CID 12807892
6-bromo-1-pentylquinazoline-2,4-dione
CID 141462501
3-(5-bromo-1-propylindol-3-yl)propan-1-ol
CID 83946739
(6-bromo-9-methylpyrido[2,3-b]indol-2-yl)methanol
CID 19439817

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[(dimethylamino)methyl]-1-(2-hydroxyethyl)quinolin-2-one?
The IUPAC name of 6-bromo-4-[(dimethylamino)methyl]-1-(2-hydroxyethyl)quinolin-2-one (CID 178046418) is 6-bromo-4-[(dimethylamino)methyl]-1-(2-hydroxyethyl)quinolin-2-one.
What is the SMILES notation for 6-bromo-4-[(dimethylamino)methyl]-1-(2-hydroxyethyl)quinolin-2-one?
The canonical SMILES for 6-bromo-4-[(dimethylamino)methyl]-1-(2-hydroxyethyl)quinolin-2-one is CN(C)Cc1cc(=O)n(CCO)c2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-[(dimethylamino)methyl]-1-(2-hydroxyethyl)quinolin-2-one?
The InChIKey is MWYIPHJJAPWDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-16(2)9-10-7-14(19)17(5-6-18)13-4-3-11(15)8-12(10)13/h3-4,7-8,18H,5-6,9H2,1-2H3.
What are the key properties of 6-bromo-4-[(dimethylamino)methyl]-1-(2-hydroxyethyl)quinolin-2-one?
6-bromo-4-[(dimethylamino)methyl]-1-(2-hydroxyethyl)quinolin-2-one has a molecular weight of 325.21 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[(dimethylamino)methyl]-1-(2-hydroxyethyl)quinolin-2-one is sourced from PubChem (CID 178046418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).