N-(furan-2-ylmethyl)-2-[(8-nitroisoquinolin-5-yl)amino]acetamide

C16H14N4O4 — CID 51245856

IUPACN-(furan-2-ylmethyl)-2-[(8-nitroisoquinolin-5-yl)amino]acetamide
SMILESO=C(CNc1ccc([N+](=O)[O-])c2cnccc12)NCc1ccco1
InChIInChI=1S/C16H14N4O4/c21-16(19-8-11-2-1-7-24-11)10-18-14-3-4-15(20(22)23)13-9-17-6-5-12(13)14/h1-7,9,18H,8,10H2,(H,19,21)
InChIKeyDGIVINIARHYSPV-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.46
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[(8-nitroisoquinolin-5-yl)amino]acetamide

N-(furan-2-ylmethyl)-2-[(8-nitroisoquinolin-5-yl)amino]acetamide (PubChem CID 51245856) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(8-nitroisoquinolin-5-yl)amino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(8-nitroisoquinolin-5-yl)amino]acetamide
PubChem CID51245856
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC NameN-(furan-2-ylmethyl)-2-[(8-nitroisoquinolin-5-yl)amino]acetamide
SMILESO=C(CNc1ccc([N+](=O)[O-])c2cnccc12)NCc1ccco1
InChIInChI=1S/C16H14N4O4/c21-16(19-8-11-2-1-7-24-11)10-18-14-3-4-15(20(22)23)13-9-17-6-5-12(13)14/h1-7,9,18H,8,10H2,(H,19,21)
InChIKeyDGIVINIARHYSPV-UHFFFAOYSA-N
XLogP2.46
TPSA110.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
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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Related Compounds

N-(furan-2-ylmethyl)-5-nitroisoquinolin-8-amine
CID 103141136
N-methyl-2-[(8-nitroisoquinolin-5-yl)amino]acetamide
CID 43386255
N-tert-butyl-2-[(8-nitroisoquinolin-5-yl)amino]acetamide
CID 51210539
N-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide
CID 78815640
N-[2-[(8-nitroisoquinolin-5-yl)amino]ethyl]acetamide
CID 43397796
2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide
CID 75379407
N-(furan-2-ylmethyl)-2-[4-nitro-2-(trifluoromethyl)anilino]acetamide
CID 47072285
methyl 5-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-nitrobenzoate
CID 36585024
N-ethyl-3-[(5-nitroisoquinolin-8-yl)amino]propanamide
CID 103141877
3-[(5-nitroisoquinolin-8-yl)amino]propanoic acid
CID 103140204
N-[(2-fluorophenyl)methyl]-8-nitroisoquinolin-5-amine
CID 26452304
2-methyl-3-[(8-nitroisoquinolin-5-yl)amino]propanoic acid
CID 62676610

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(8-nitroisoquinolin-5-yl)amino]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(8-nitroisoquinolin-5-yl)amino]acetamide (CID 51245856) is N-(furan-2-ylmethyl)-2-[(8-nitroisoquinolin-5-yl)amino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(8-nitroisoquinolin-5-yl)amino]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(8-nitroisoquinolin-5-yl)amino]acetamide is O=C(CNc1ccc([N+](=O)[O-])c2cnccc12)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(8-nitroisoquinolin-5-yl)amino]acetamide?
The InChIKey is DGIVINIARHYSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c21-16(19-8-11-2-1-7-24-11)10-18-14-3-4-15(20(22)23)13-9-17-6-5-12(13)14/h1-7,9,18H,8,10H2,(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-2-[(8-nitroisoquinolin-5-yl)amino]acetamide?
N-(furan-2-ylmethyl)-2-[(8-nitroisoquinolin-5-yl)amino]acetamide has a molecular weight of 326.31 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(8-nitroisoquinolin-5-yl)amino]acetamide is sourced from PubChem (CID 51245856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).