5-bromo-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide

C15H13BrN2O3 — CID 18571254

IUPAC5-bromo-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide
SMILESCN1C(=O)CCc2cc(NC(=O)c3ccc(Br)o3)ccc21
InChIInChI=1S/C15H13BrN2O3/c1-18-11-4-3-10(8-9(11)2-7-14(18)19)17-15(20)12-5-6-13(16)21-12/h3-6,8H,2,7H2,1H3,(H,17,20)
InChIKeyNXPLNRBECNJCHD-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.20
Rot. Bonds2

About 5-bromo-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide

5-bromo-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide (PubChem CID 18571254) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 5-bromo-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide
PubChem CID18571254
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name5-bromo-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide
SMILESCN1C(=O)CCc2cc(NC(=O)c3ccc(Br)o3)ccc21
InChIInChI=1S/C15H13BrN2O3/c1-18-11-4-3-10(8-9(11)2-7-14(18)19)17-15(20)12-5-6-13(16)21-12/h3-6,8H,2,7H2,1H3,(H,17,20)
InChIKeyNXPLNRBECNJCHD-UHFFFAOYSA-N
XLogP3.20
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-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 5-bromo-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide (CID 18571254) is 5-bromo-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide is CN1C(=O)CCc2cc(NC(=O)c3ccc(Br)o3)ccc21.
What is the InChIKey of 5-bromo-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide?
The InChIKey is NXPLNRBECNJCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-18-11-4-3-10(8-9(11)2-7-14(18)19)17-15(20)12-5-6-13(16)21-12/h3-6,8H,2,7H2,1H3,(H,17,20).
What are the key properties of 5-bromo-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide?
5-bromo-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide has a molecular weight of 349.18 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide is sourced from PubChem (CID 18571254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).