(8-nitro-2-oxo-1H-quinolin-3-yl) acetate

C11H8N2O5 — CID 13419757

IUPAC(8-nitro-2-oxo-1H-quinolin-3-yl) acetate
SMILESCC(=O)Oc1cc2cccc([N+](=O)[O-])c2[nH]c1=O
InChIInChI=1S/C11H8N2O5/c1-6(14)18-9-5-7-3-2-4-8(13(16)17)10(7)12-11(9)15/h2-5H,1H3,(H,12,15)
InChIKeyOUTDTFDBBGYRLM-UHFFFAOYSA-N
MW248.19 g/mol
LogP1.36
Rot. Bonds2

About (8-nitro-2-oxo-1H-quinolin-3-yl) acetate

(8-nitro-2-oxo-1H-quinolin-3-yl) acetate (PubChem CID 13419757) has the molecular formula C11H8N2O5 and a molecular weight of 248.19 g/mol. Its IUPAC name is (8-nitro-2-oxo-1H-quinolin-3-yl) acetate.

Molecular Properties

Compound Name(8-nitro-2-oxo-1H-quinolin-3-yl) acetate
PubChem CID13419757
Molecular FormulaC11H8N2O5
Molecular Weight248.19 g/mol
Exact Mass248.04
IUPAC Name(8-nitro-2-oxo-1H-quinolin-3-yl) acetate
SMILESCC(=O)Oc1cc2cccc([N+](=O)[O-])c2[nH]c1=O
InChIInChI=1S/C11H8N2O5/c1-6(14)18-9-5-7-3-2-4-8(13(16)17)10(7)12-11(9)15/h2-5H,1H3,(H,12,15)
InChIKeyOUTDTFDBBGYRLM-UHFFFAOYSA-N
XLogP1.36
TPSA102.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide
CID 47266467
(2-chloro-3-nitrophenyl) acetate
CID 70379964
(2-nitro-1-benzofuran-7-yl) acetate
CID 13400712
nitro 2-acetyloxy-6-nitrobenzoate
CID 91533909
8-iodo-3-methoxy-1H-quinolin-2-one
CID 68636812
3-methoxy-8-methyl-1H-quinolin-2-one
CID 151998755
2,2,2-trifluoroethyl 7-nitro-1H-indole-2-carboxylate
CID 51087549
N-butyl-7-nitro-1H-indole-2-carboxamide
CID 2823660
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(7-nitro-1H-indol-2-yl)methanone
CID 51085910
2-(5-fluoro-1H-indol-2-yl)-7-nitro-1H-indole
CID 173442632
8-ethyl-3-methoxy-1H-quinolin-2-one
CID 119083523
1-[(7-nitro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176423

Frequently Asked Questions

What is the IUPAC name of (8-nitro-2-oxo-1H-quinolin-3-yl) acetate?
The IUPAC name of (8-nitro-2-oxo-1H-quinolin-3-yl) acetate (CID 13419757) is (8-nitro-2-oxo-1H-quinolin-3-yl) acetate.
What is the SMILES notation for (8-nitro-2-oxo-1H-quinolin-3-yl) acetate?
The canonical SMILES for (8-nitro-2-oxo-1H-quinolin-3-yl) acetate is CC(=O)Oc1cc2cccc([N+](=O)[O-])c2[nH]c1=O.
What is the InChIKey of (8-nitro-2-oxo-1H-quinolin-3-yl) acetate?
The InChIKey is OUTDTFDBBGYRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O5/c1-6(14)18-9-5-7-3-2-4-8(13(16)17)10(7)12-11(9)15/h2-5H,1H3,(H,12,15).
What are the key properties of (8-nitro-2-oxo-1H-quinolin-3-yl) acetate?
(8-nitro-2-oxo-1H-quinolin-3-yl) acetate has a molecular weight of 248.19 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-nitro-2-oxo-1H-quinolin-3-yl) acetate is sourced from PubChem (CID 13419757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).