7-(3-bromopropoxy)-3H-quinolin-2-one

C12H12BrNO2 — CID 71776584

IUPAC7-(3-bromopropoxy)-3H-quinolin-2-one
SMILESO=C1CC=c2ccc(OCCCBr)cc2=N1
InChIInChI=1S/C12H12BrNO2/c13-6-1-7-16-10-4-2-9-3-5-12(15)14-11(9)8-10/h2-4,8H,1,5-7H2
InChIKeyTWIZCHQYVNFLNU-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.18
Rot. Bonds4

About 7-(3-bromopropoxy)-3H-quinolin-2-one

7-(3-bromopropoxy)-3H-quinolin-2-one (PubChem CID 71776584) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 7-(3-bromopropoxy)-3H-quinolin-2-one.

Molecular Properties

Compound Name7-(3-bromopropoxy)-3H-quinolin-2-one
PubChem CID71776584
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name7-(3-bromopropoxy)-3H-quinolin-2-one
SMILESO=C1CC=c2ccc(OCCCBr)cc2=N1
InChIInChI=1S/C12H12BrNO2/c13-6-1-7-16-10-4-2-9-3-5-12(15)14-11(9)8-10/h2-4,8H,1,5-7H2
InChIKeyTWIZCHQYVNFLNU-UHFFFAOYSA-N
XLogP1.18
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 7-(3-bromopropoxy)-3H-quinolin-2-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

5-(4-Bromobutoxy)indol-2-one
CID 141205025
5-(3-Bromopropoxy)indol-2-one
CID 141205026
7-(4-bromobutoxy)-4aH-quinolin-2-one
CID 45038437
7-(3-bromopropoxy)-4aH-quinolin-2-one
CID 45038463
7-(4-bromobutoxy)-3H-quinolin-2-one
CID 71776562

Frequently Asked Questions

What is the IUPAC name of 7-(3-bromopropoxy)-3H-quinolin-2-one?
The IUPAC name of 7-(3-bromopropoxy)-3H-quinolin-2-one (CID 71776584) is 7-(3-bromopropoxy)-3H-quinolin-2-one.
What is the SMILES notation for 7-(3-bromopropoxy)-3H-quinolin-2-one?
The canonical SMILES for 7-(3-bromopropoxy)-3H-quinolin-2-one is O=C1CC=c2ccc(OCCCBr)cc2=N1.
What is the InChIKey of 7-(3-bromopropoxy)-3H-quinolin-2-one?
The InChIKey is TWIZCHQYVNFLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c13-6-1-7-16-10-4-2-9-3-5-12(15)14-11(9)8-10/h2-4,8H,1,5-7H2.
What are the key properties of 7-(3-bromopropoxy)-3H-quinolin-2-one?
7-(3-bromopropoxy)-3H-quinolin-2-one has a molecular weight of 282.14 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromopropoxy)-3H-quinolin-2-one is sourced from PubChem (CID 71776584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).