8-bromo-1'-cyclopropylspiro[3H-pyrrolo[2,3-c]quinoline-1,4'-piperidine]-2-one

C18H18BrN3O — CID 146482026

IUPAC8-bromo-1'-cyclopropylspiro[3H-pyrrolo[2,3-c]quinoline-1,4'-piperidine]-2-one
SMILESO=C1Nc2cnc3ccc(Br)cc3c2C12CCN(C1CC1)CC2
InChIInChI=1S/C18H18BrN3O/c19-11-1-4-14-13(9-11)16-15(10-20-14)21-17(23)18(16)5-7-22(8-6-18)12-2-3-12/h1,4,9-10,12H,2-3,5-8H2,(H,21,23)
InChIKeyHSOFWDUZRAHUSI-UHFFFAOYSA-N
MW372.27 g/mol
LogP3.45
Rot. Bonds1

About 8-bromo-1'-cyclopropylspiro[3H-pyrrolo[2,3-c]quinoline-1,4'-piperidine]-2-one

8-bromo-1'-cyclopropylspiro[3H-pyrrolo[2,3-c]quinoline-1,4'-piperidine]-2-one (PubChem CID 146482026) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is 8-bromo-1'-cyclopropylspiro[3H-pyrrolo[2,3-c]quinoline-1,4'-piperidine]-2-one.

Molecular Properties

Compound Name8-bromo-1'-cyclopropylspiro[3H-pyrrolo[2,3-c]quinoline-1,4'-piperidine]-2-one
PubChem CID146482026
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC Name8-bromo-1'-cyclopropylspiro[3H-pyrrolo[2,3-c]quinoline-1,4'-piperidine]-2-one
SMILESO=C1Nc2cnc3ccc(Br)cc3c2C12CCN(C1CC1)CC2
InChIInChI=1S/C18H18BrN3O/c19-11-1-4-14-13(9-11)16-15(10-20-14)21-17(23)18(16)5-7-22(8-6-18)12-2-3-12/h1,4,9-10,12H,2-3,5-8H2,(H,21,23)
InChIKeyHSOFWDUZRAHUSI-UHFFFAOYSA-N
XLogP3.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-bromo-1'-cyclopropylspiro[3H-pyrrolo[2,3-c]quinoline-1,4'-piperidine]-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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1'-cyclopropylspiro[3H-pyrrolo[2,3-c]quinoline-1,4'-piperidine]-2-one?
The IUPAC name of 8-bromo-1'-cyclopropylspiro[3H-pyrrolo[2,3-c]quinoline-1,4'-piperidine]-2-one (CID 146482026) is 8-bromo-1'-cyclopropylspiro[3H-pyrrolo[2,3-c]quinoline-1,4'-piperidine]-2-one.
What is the SMILES notation for 8-bromo-1'-cyclopropylspiro[3H-pyrrolo[2,3-c]quinoline-1,4'-piperidine]-2-one?
The canonical SMILES for 8-bromo-1'-cyclopropylspiro[3H-pyrrolo[2,3-c]quinoline-1,4'-piperidine]-2-one is O=C1Nc2cnc3ccc(Br)cc3c2C12CCN(C1CC1)CC2.
What is the InChIKey of 8-bromo-1'-cyclopropylspiro[3H-pyrrolo[2,3-c]quinoline-1,4'-piperidine]-2-one?
The InChIKey is HSOFWDUZRAHUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c19-11-1-4-14-13(9-11)16-15(10-20-14)21-17(23)18(16)5-7-22(8-6-18)12-2-3-12/h1,4,9-10,12H,2-3,5-8H2,(H,21,23).
What are the key properties of 8-bromo-1'-cyclopropylspiro[3H-pyrrolo[2,3-c]quinoline-1,4'-piperidine]-2-one?
8-bromo-1'-cyclopropylspiro[3H-pyrrolo[2,3-c]quinoline-1,4'-piperidine]-2-one has a molecular weight of 372.27 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1'-cyclopropylspiro[3H-pyrrolo[2,3-c]quinoline-1,4'-piperidine]-2-one is sourced from PubChem (CID 146482026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).