5-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]furan-2-carboxamide

C21H23BrN4O2 — CID 3238387

IUPAC5-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]furan-2-carboxamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc(Br)o4)ccc3n2)CC1
InChIInChI=1S/C21H23BrN4O2/c1-3-25-8-10-26(11-9-25)20-12-14(2)16-13-15(4-5-17(16)24-20)23-21(27)18-6-7-19(22)28-18/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,27)
InChIKeyOEUQCWPHMSZABN-UHFFFAOYSA-N
MW443.35 g/mol
LogP4.29
Rot. Bonds4

About 5-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]furan-2-carboxamide

5-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]furan-2-carboxamide (PubChem CID 3238387) has the molecular formula C21H23BrN4O2 and a molecular weight of 443.35 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]furan-2-carboxamide
PubChem CID3238387
Molecular FormulaC21H23BrN4O2
Molecular Weight443.35 g/mol
Exact Mass442.10
IUPAC Name5-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]furan-2-carboxamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc(Br)o4)ccc3n2)CC1
InChIInChI=1S/C21H23BrN4O2/c1-3-25-8-10-26(11-9-25)20-12-14(2)16-13-15(4-5-17(16)24-20)23-21(27)18-6-7-19(22)28-18/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,27)
InChIKeyOEUQCWPHMSZABN-UHFFFAOYSA-N
XLogP4.29
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]furan-2-carboxamide (CID 3238387) is 5-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]furan-2-carboxamide is CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc(Br)o4)ccc3n2)CC1.
What is the InChIKey of 5-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]furan-2-carboxamide?
The InChIKey is OEUQCWPHMSZABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4O2/c1-3-25-8-10-26(11-9-25)20-12-14(2)16-13-15(4-5-17(16)24-20)23-21(27)18-6-7-19(22)28-18/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,27).
What are the key properties of 5-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]furan-2-carboxamide?
5-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]furan-2-carboxamide has a molecular weight of 443.35 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]furan-2-carboxamide is sourced from PubChem (CID 3238387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).