6-bromo-9-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one

C13H13BrN2O2 — CID 11544068

IUPAC6-bromo-9-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
SMILESO=C1NCCc2c1n(CCO)c1ccc(Br)cc21
InChIInChI=1S/C13H13BrN2O2/c14-8-1-2-11-10(7-8)9-3-4-15-13(18)12(9)16(11)5-6-17/h1-2,7,17H,3-6H2,(H,15,18)
InChIKeyVOVBZHDDLMLLJI-UHFFFAOYSA-N
MW309.16 g/mol
LogP1.68
Rot. Bonds2

About 6-bromo-9-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one

6-bromo-9-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one (PubChem CID 11544068) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 6-bromo-9-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name6-bromo-9-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
PubChem CID11544068
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name6-bromo-9-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
SMILESO=C1NCCc2c1n(CCO)c1ccc(Br)cc21
InChIInChI=1S/C13H13BrN2O2/c14-8-1-2-11-10(7-8)9-3-4-15-13(18)12(9)16(11)5-6-17/h1-2,7,17H,3-6H2,(H,15,18)
InChIKeyVOVBZHDDLMLLJI-UHFFFAOYSA-N
XLogP1.68
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 6-bromo-9-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-bromo-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)acetic acid
CID 11659807
9-[(4-bromophenyl)methyl]-6-butyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
CID 91603662
9-[3-(dimethylamino)propyl]-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxylic acid
CID 68994981
9-[3-(butylamino)propyl]-6-chloro-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
CID 91218501
9-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
CID 90835395
tert-butyl N-[1-[[4-(6-bromo-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indol-9-yl)phenyl]methyl]cyclopropyl]carbamate
CID 70667502
6-bromo-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
CID 905008
6-bromo-4-[(dimethylamino)methyl]-1-(2-hydroxyethyl)quinolin-2-one
CID 178046418
8-bromo-10-methoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 10851365
(NZ)-N-(6-bromo-9-ethyl-3,4-dihydro-2H-carbazol-1-ylidene)hydroxylamine
CID 5399879
5-bromo-3-(2-hydroxyethyl)-1,3-benzoxazol-2-one
CID 169260396
6-bromo-9-(4-bromobenzoyl)-3,4-dihydro-2H-carbazol-1-one
CID 143235078

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one?
The IUPAC name of 6-bromo-9-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one (CID 11544068) is 6-bromo-9-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one.
What is the SMILES notation for 6-bromo-9-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one?
The canonical SMILES for 6-bromo-9-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one is O=C1NCCc2c1n(CCO)c1ccc(Br)cc21.
What is the InChIKey of 6-bromo-9-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one?
The InChIKey is VOVBZHDDLMLLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-8-1-2-11-10(7-8)9-3-4-15-13(18)12(9)16(11)5-6-17/h1-2,7,17H,3-6H2,(H,15,18).
What are the key properties of 6-bromo-9-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one?
6-bromo-9-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one has a molecular weight of 309.16 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-(2-hydroxyethyl)-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one is sourced from PubChem (CID 11544068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).