2-hydroxy-3-[(8-nitroquinolin-5-yl)amino]propanamide

C12H12N4O4 — CID 106170758

IUPAC2-hydroxy-3-[(8-nitroquinolin-5-yl)amino]propanamide
SMILESNC(=O)C(O)CNc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C12H12N4O4/c13-12(18)10(17)6-15-8-3-4-9(16(19)20)11-7(8)2-1-5-14-11/h1-5,10,15,17H,6H2,(H2,13,18)
InChIKeyZFKWFZBMRINYKR-UHFFFAOYSA-N
MW276.25 g/mol
LogP0.40
Rot. Bonds5

About 2-hydroxy-3-[(8-nitroquinolin-5-yl)amino]propanamide

2-hydroxy-3-[(8-nitroquinolin-5-yl)amino]propanamide (PubChem CID 106170758) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is 2-hydroxy-3-[(8-nitroquinolin-5-yl)amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[(8-nitroquinolin-5-yl)amino]propanamide
PubChem CID106170758
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Name2-hydroxy-3-[(8-nitroquinolin-5-yl)amino]propanamide
SMILESNC(=O)C(O)CNc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C12H12N4O4/c13-12(18)10(17)6-15-8-3-4-9(16(19)20)11-7(8)2-1-5-14-11/h1-5,10,15,17H,6H2,(H2,13,18)
InChIKeyZFKWFZBMRINYKR-UHFFFAOYSA-N
XLogP0.40
TPSA131.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 50.40
H-Bond Donors ≤ 53
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

3-[(8-nitroquinolin-5-yl)amino]propan-1-ol
CID 43386308
N-(2,2-dimethoxyethyl)-8-nitroquinolin-5-amine
CID 107390120
3-[(8-nitroquinolin-5-yl)amino]propanoic acid
CID 43449368
1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol
CID 104594236
N'-(8-nitroquinolin-5-yl)butane-1,4-diamine
CID 60895239
N-(2-methylsulfanylethyl)-8-nitroquinolin-5-amine
CID 60661616
1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine
CID 3349985
2-ethyl-1-N-(8-nitroquinolin-5-yl)butane-1,2-diamine
CID 115306174
8-nitro-N-propan-2-ylquinolin-5-amine
CID 43449523
3-[(8-nitroquinolin-5-yl)amino]butanoic acid
CID 43449375
3-methyl-3-[(8-nitroquinolin-5-yl)amino]butanoic acid
CID 64700007
N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine
CID 62664848

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(8-nitroquinolin-5-yl)amino]propanamide?
The IUPAC name of 2-hydroxy-3-[(8-nitroquinolin-5-yl)amino]propanamide (CID 106170758) is 2-hydroxy-3-[(8-nitroquinolin-5-yl)amino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[(8-nitroquinolin-5-yl)amino]propanamide?
The canonical SMILES for 2-hydroxy-3-[(8-nitroquinolin-5-yl)amino]propanamide is NC(=O)C(O)CNc1ccc([N+](=O)[O-])c2ncccc12.
What is the InChIKey of 2-hydroxy-3-[(8-nitroquinolin-5-yl)amino]propanamide?
The InChIKey is ZFKWFZBMRINYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c13-12(18)10(17)6-15-8-3-4-9(16(19)20)11-7(8)2-1-5-14-11/h1-5,10,15,17H,6H2,(H2,13,18).
What are the key properties of 2-hydroxy-3-[(8-nitroquinolin-5-yl)amino]propanamide?
2-hydroxy-3-[(8-nitroquinolin-5-yl)amino]propanamide has a molecular weight of 276.25 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(8-nitroquinolin-5-yl)amino]propanamide is sourced from PubChem (CID 106170758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).