N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-5-bromofuran-2-carboxamide

C16H15BrN2O3 — CID 7586172

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-5-bromofuran-2-carboxamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)c3ccc(Br)o3)cc21
InChIInChI=1S/C16H15BrN2O3/c1-10(20)19-8-2-3-11-4-5-12(9-13(11)19)18-16(21)14-6-7-15(17)22-14/h4-7,9H,2-3,8H2,1H3,(H,18,21)
InChIKeyILPKEBKYPIJRJV-UHFFFAOYSA-N
MW363.21 g/mol
LogP3.59
Rot. Bonds2

About N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-5-bromofuran-2-carboxamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-5-bromofuran-2-carboxamide (PubChem CID 7586172) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-5-bromofuran-2-carboxamide
PubChem CID7586172
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-5-bromofuran-2-carboxamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)c3ccc(Br)o3)cc21
InChIInChI=1S/C16H15BrN2O3/c1-10(20)19-8-2-3-11-4-5-12(9-13(11)19)18-16(21)14-6-7-15(17)22-14/h4-7,9H,2-3,8H2,1H3,(H,18,21)
InChIKeyILPKEBKYPIJRJV-UHFFFAOYSA-N
XLogP3.59
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-5-bromofuran-2-carboxamide 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 N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-5-bromofuran-2-carboxamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-5-bromofuran-2-carboxamide (CID 7586172) is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-5-bromofuran-2-carboxamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-5-bromofuran-2-carboxamide is CC(=O)N1CCCc2ccc(NC(=O)c3ccc(Br)o3)cc21.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-5-bromofuran-2-carboxamide?
The InChIKey is ILPKEBKYPIJRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-10(20)19-8-2-3-11-4-5-12(9-13(11)19)18-16(21)14-6-7-15(17)22-14/h4-7,9H,2-3,8H2,1H3,(H,18,21).
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-5-bromofuran-2-carboxamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-5-bromofuran-2-carboxamide has a molecular weight of 363.21 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-5-bromofuran-2-carboxamide is sourced from PubChem (CID 7586172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).