2,3-dihydroxy-3-(3-nitro-4-oxo-1H-quinolin-6-yl)propanamide

C12H11N3O6 — CID 171869180

IUPAC2,3-dihydroxy-3-(3-nitro-4-oxo-1H-quinolin-6-yl)propanamide
SMILESNC(=O)C(O)C(O)c1ccc2[nH]cc([N+](=O)[O-])c(=O)c2c1
InChIInChI=1S/C12H11N3O6/c13-12(19)11(18)9(16)5-1-2-7-6(3-5)10(17)8(4-14-7)15(20)21/h1-4,9,11,16,18H,(H2,13,19)(H,14,17)
InChIKeyCTMZHFKYFHSYGB-UHFFFAOYSA-N
MW293.24 g/mol
LogP-0.68
Rot. Bonds4

About 2,3-dihydroxy-3-(3-nitro-4-oxo-1H-quinolin-6-yl)propanamide

2,3-dihydroxy-3-(3-nitro-4-oxo-1H-quinolin-6-yl)propanamide (PubChem CID 171869180) has the molecular formula C12H11N3O6 and a molecular weight of 293.24 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(3-nitro-4-oxo-1H-quinolin-6-yl)propanamide.

Molecular Properties

Compound Name2,3-dihydroxy-3-(3-nitro-4-oxo-1H-quinolin-6-yl)propanamide
PubChem CID171869180
Molecular FormulaC12H11N3O6
Molecular Weight293.24 g/mol
Exact Mass293.06
IUPAC Name2,3-dihydroxy-3-(3-nitro-4-oxo-1H-quinolin-6-yl)propanamide
SMILESNC(=O)C(O)C(O)c1ccc2[nH]cc([N+](=O)[O-])c(=O)c2c1
InChIInChI=1S/C12H11N3O6/c13-12(19)11(18)9(16)5-1-2-7-6(3-5)10(17)8(4-14-7)15(20)21/h1-4,9,11,16,18H,(H2,13,19)(H,14,17)
InChIKeyCTMZHFKYFHSYGB-UHFFFAOYSA-N
XLogP-0.68
TPSA159.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
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

6-(4-chloro-1,2-dihydroxybutyl)-3-nitro-1H-quinolin-4-one
CID 171894817
N-[3,4-dihydroxy-4-(3-nitro-4-oxo-1H-quinolin-6-yl)butyl]acetamide
CID 171884066
benzyl N-[3,4-dihydroxy-4-(3-nitro-4-oxo-1H-quinolin-6-yl)butyl]carbamate
CID 171889442
2,3-dihydroxy-3-(4-nitrophenyl)propanamide
CID 171868264
3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2,3-dihydroxypropanamide
CID 171869003
methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
CID 158561072
(3-nitro-1H-indol-5-yl)methyl carbamate
CID 175473187
2,3-dihydroxy-3-(3-methoxycarbonyl-1H-indol-5-yl)propanoic acid
CID 170824941
3-(3-amino-1H-indazol-6-yl)-2,3-dihydroxypropanamide
CID 171868406
6-chloro-3-nitro-1H-quinolin-4-one;4,6-dichloro-3-nitroquinoline
CID 158162895
6-[4-(methylamino)but-1-ynyl]-3-nitro-1H-quinolin-4-one
CID 170465298
7-nitro-1,5-dihydro-1,5-naphthyridine-2,8-dione
CID 118703417

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(3-nitro-4-oxo-1H-quinolin-6-yl)propanamide?
The IUPAC name of 2,3-dihydroxy-3-(3-nitro-4-oxo-1H-quinolin-6-yl)propanamide (CID 171869180) is 2,3-dihydroxy-3-(3-nitro-4-oxo-1H-quinolin-6-yl)propanamide.
What is the SMILES notation for 2,3-dihydroxy-3-(3-nitro-4-oxo-1H-quinolin-6-yl)propanamide?
The canonical SMILES for 2,3-dihydroxy-3-(3-nitro-4-oxo-1H-quinolin-6-yl)propanamide is NC(=O)C(O)C(O)c1ccc2[nH]cc([N+](=O)[O-])c(=O)c2c1.
What is the InChIKey of 2,3-dihydroxy-3-(3-nitro-4-oxo-1H-quinolin-6-yl)propanamide?
The InChIKey is CTMZHFKYFHSYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O6/c13-12(19)11(18)9(16)5-1-2-7-6(3-5)10(17)8(4-14-7)15(20)21/h1-4,9,11,16,18H,(H2,13,19)(H,14,17).
What are the key properties of 2,3-dihydroxy-3-(3-nitro-4-oxo-1H-quinolin-6-yl)propanamide?
2,3-dihydroxy-3-(3-nitro-4-oxo-1H-quinolin-6-yl)propanamide has a molecular weight of 293.24 g/mol, XLogP of -0.68, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(3-nitro-4-oxo-1H-quinolin-6-yl)propanamide is sourced from PubChem (CID 171869180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).