3-hydroxy-4-methoxy-1-methyl-7-nitroquinolin-2-one

C11H10N2O5 — CID 23300518

IUPAC3-hydroxy-4-methoxy-1-methyl-7-nitroquinolin-2-one
SMILESCOc1c(O)c(=O)n(C)c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C11H10N2O5/c1-12-8-5-6(13(16)17)3-4-7(8)10(18-2)9(14)11(12)15/h3-5,14H,1-2H3
InChIKeyVQFUWSDTWOBCIE-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.16
Rot. Bonds2

About 3-hydroxy-4-methoxy-1-methyl-7-nitroquinolin-2-one

3-hydroxy-4-methoxy-1-methyl-7-nitroquinolin-2-one (PubChem CID 23300518) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-1-methyl-7-nitroquinolin-2-one.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-1-methyl-7-nitroquinolin-2-one
PubChem CID23300518
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name3-hydroxy-4-methoxy-1-methyl-7-nitroquinolin-2-one
SMILESCOc1c(O)c(=O)n(C)c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C11H10N2O5/c1-12-8-5-6(13(16)17)3-4-7(8)10(18-2)9(14)11(12)15/h3-5,14H,1-2H3
InChIKeyVQFUWSDTWOBCIE-UHFFFAOYSA-N
XLogP1.16
TPSA94.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
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-methoxy-4-(methoxymethoxy)-1-methyl-7-nitroquinolin-2-one
CID 23300226
methyl 4-hydroxy-1-methyl-7-nitro-2-oxoquinoline-3-carboxylate
CID 54677611
4-hydroxy-1-(2-hydroxyethyl)-3-methoxy-7-nitroquinolin-2-one
CID 54716364
4-methoxy-1-methyl-7-nitro-3-octoxyquinolin-2-one
CID 23300561
1-ethyl-3,4-dimethoxy-7-nitroquinolin-2-one
CID 21217745
1-methyl-4-(3-methylbut-2-enoxy)-7-nitro-3-prop-2-enoxyquinolin-2-one
CID 23301281
1-ethyl-3-methoxy-7-nitro-4-pent-2-en-3-yloxyquinolin-2-one
CID 70248212
4-hexoxy-3-methoxy-7-nitro-1-octylquinolin-2-one
CID 23300246
4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
CID 54737447
1,2-dimethyl-6-nitroindole-3-carboxylic acid
CID 105493943
4-hexoxy-1-methyl-7-nitro-3-prop-2-enoxyquinolin-2-one
CID 23300603
1,3-dimethyl-6-nitroquinazoline-2,4-dione
CID 12666513

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-1-methyl-7-nitroquinolin-2-one?
The IUPAC name of 3-hydroxy-4-methoxy-1-methyl-7-nitroquinolin-2-one (CID 23300518) is 3-hydroxy-4-methoxy-1-methyl-7-nitroquinolin-2-one.
What is the SMILES notation for 3-hydroxy-4-methoxy-1-methyl-7-nitroquinolin-2-one?
The canonical SMILES for 3-hydroxy-4-methoxy-1-methyl-7-nitroquinolin-2-one is COc1c(O)c(=O)n(C)c2cc([N+](=O)[O-])ccc12.
What is the InChIKey of 3-hydroxy-4-methoxy-1-methyl-7-nitroquinolin-2-one?
The InChIKey is VQFUWSDTWOBCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c1-12-8-5-6(13(16)17)3-4-7(8)10(18-2)9(14)11(12)15/h3-5,14H,1-2H3.
What are the key properties of 3-hydroxy-4-methoxy-1-methyl-7-nitroquinolin-2-one?
3-hydroxy-4-methoxy-1-methyl-7-nitroquinolin-2-one has a molecular weight of 250.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-1-methyl-7-nitroquinolin-2-one is sourced from PubChem (CID 23300518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).