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

C18H17N3O5 — CID 2929429

IUPACN-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C18H17N3O5/c1-10(2)18(23)20-15(14-6-4-8-26-14)12-9-13(21(24)25)11-5-3-7-19-16(11)17(12)22/h3-10,15,22H,1-2H3,(H,20,23)
InChIKeyYXSQDCUYDOWPHY-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.30
Rot. Bonds5

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

N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide (PubChem CID 2929429) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide
PubChem CID2929429
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC NameN-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C18H17N3O5/c1-10(2)18(23)20-15(14-6-4-8-26-14)12-9-13(21(24)25)11-5-3-7-19-16(11)17(12)22/h3-10,15,22H,1-2H3,(H,20,23)
InChIKeyYXSQDCUYDOWPHY-UHFFFAOYSA-N
XLogP3.30
TPSA118.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.30
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]-2-methylpropanamide?
The IUPAC name of N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide (CID 2929429) is N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide is CC(C)C(=O)NC(c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O.
What is the InChIKey of N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide?
The InChIKey is YXSQDCUYDOWPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-10(2)18(23)20-15(14-6-4-8-26-14)12-9-13(21(24)25)11-5-3-7-19-16(11)17(12)22/h3-10,15,22H,1-2H3,(H,20,23).
What are the key properties of N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide?
N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide has a molecular weight of 355.35 g/mol, XLogP of 3.30, 5 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]-2-methylpropanamide is sourced from PubChem (CID 2929429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).