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

C17H15N3O5 — CID 2921923

IUPACN-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide
SMILESCCC(=O)NC(c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C17H15N3O5/c1-2-14(21)19-15(13-6-4-8-25-13)11-9-12(20(23)24)10-5-3-7-18-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,19,21)
InChIKeyNVKXHMNIODKIRH-UHFFFAOYSA-N
MW341.32 g/mol
LogP3.06
Rot. Bonds5

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

N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide (PubChem CID 2921923) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide
PubChem CID2921923
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC NameN-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide
SMILESCCC(=O)NC(c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C17H15N3O5/c1-2-14(21)19-15(13-6-4-8-25-13)11-9-12(20(23)24)10-5-3-7-18-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,19,21)
InChIKeyNVKXHMNIODKIRH-UHFFFAOYSA-N
XLogP3.06
TPSA118.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 53.06
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]propanamide?
The IUPAC name of N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide (CID 2921923) is N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide.
What is the SMILES notation for N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide?
The canonical SMILES for N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide is CCC(=O)NC(c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O.
What is the InChIKey of N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide?
The InChIKey is NVKXHMNIODKIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-2-14(21)19-15(13-6-4-8-25-13)11-9-12(20(23)24)10-5-3-7-18-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,19,21).
What are the key properties of N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide?
N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide has a molecular weight of 341.32 g/mol, XLogP of 3.06, 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]propanamide is sourced from PubChem (CID 2921923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).