furan-2-yl-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone

C18H16N4O4 — CID 3142697

IUPACfuran-2-yl-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1
InChIInChI=1S/C18H16N4O4/c23-18(16-4-2-12-26-16)21-10-8-20(9-11-21)14-5-6-15(22(24)25)17-13(14)3-1-7-19-17/h1-7,12H,8-11H2
InChIKeyNPTSMLTUZJVQKA-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.70
Rot. Bonds3

About furan-2-yl-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone

furan-2-yl-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone (PubChem CID 3142697) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is furan-2-yl-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone
PubChem CID3142697
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Namefuran-2-yl-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1
InChIInChI=1S/C18H16N4O4/c23-18(16-4-2-12-26-16)21-10-8-20(9-11-21)14-5-6-15(22(24)25)17-13(14)3-1-7-19-17/h1-7,12H,8-11H2
InChIKeyNPTSMLTUZJVQKA-UHFFFAOYSA-N
XLogP2.70
TPSA92.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone (CID 3142697) is furan-2-yl-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1.
What is the InChIKey of furan-2-yl-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone?
The InChIKey is NPTSMLTUZJVQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c23-18(16-4-2-12-26-16)21-10-8-20(9-11-21)14-5-6-15(22(24)25)17-13(14)3-1-7-19-17/h1-7,12H,8-11H2.
What are the key properties of furan-2-yl-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone?
furan-2-yl-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone has a molecular weight of 352.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 3142697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).