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

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

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Related Compounds

Piperazine, 1-(4-amino-6-bromo-2-quinazolinyl)-4-(2-furanylcarbonyl)-, monohydrochloride
CID 3066781
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-oxochromene-2-carboxamide
CID 44403736
5-Bromo-N-[4-methyl-2-(piperidin-1-YL)quinolin-6-YL]furan-2-carboxamide
CID 9550550
N-quinolin-2-ylfuran-2-carboxamide
CID 2812453
N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 57873515
N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]furan-2-carboxamide
CID 141483004
5-bromo-N-(2-methylquinolin-8-yl)furan-2-carboxamide
CID 666114
5-bromo-N-[2-(diethylamino)-4-methylquinolin-6-yl]furan-2-carboxamide
CID 9550320
4-(2-Bromo-4-isopropyl-phenyl)-8-(ethyl-furan-2-ylmethyl-amino)-6-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 11363701
N-(2-furylmethyl)-2-[(2-methylphenyl)amino]quinoline-4-carboxamide
CID 12005289
N-[4-(3-bromoanilino)quinazolin-6-yl]furan-2-carboxamide
CID 71762114
5-bromo-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-furamide
CID 3240925

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).