N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide

C16H13N3O5 — CID 2921485

IUPACN-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C16H13N3O5/c1-9(20)18-14(13-5-3-7-24-13)11-8-12(19(22)23)10-4-2-6-17-15(10)16(11)21/h2-8,14,21H,1H3,(H,18,20)
InChIKeyMZQGNILNUZYNSG-UHFFFAOYSA-N
MW327.30 g/mol
LogP2.67
Rot. Bonds4

About N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide

N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide (PubChem CID 2921485) has the molecular formula C16H13N3O5 and a molecular weight of 327.30 g/mol. Its IUPAC name is N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide
PubChem CID2921485
Molecular FormulaC16H13N3O5
Molecular Weight327.30 g/mol
Exact Mass327.09
IUPAC NameN-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C16H13N3O5/c1-9(20)18-14(13-5-3-7-24-13)11-8-12(19(22)23)10-4-2-6-17-15(10)16(11)21/h2-8,14,21H,1H3,(H,18,20)
InChIKeyMZQGNILNUZYNSG-UHFFFAOYSA-N
XLogP2.67
TPSA118.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'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 N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide?
The IUPAC name of N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide (CID 2921485) is N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide.
What is the SMILES notation for N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide?
The canonical SMILES for N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide is CC(=O)NC(c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O.
What is the InChIKey of N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide?
The InChIKey is MZQGNILNUZYNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5/c1-9(20)18-14(13-5-3-7-24-13)11-8-12(19(22)23)10-4-2-6-17-15(10)16(11)21/h2-8,14,21H,1H3,(H,18,20).
What are the key properties of N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide?
N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide has a molecular weight of 327.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide is sourced from PubChem (CID 2921485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).