6-fluoro-3-(methoxymethyl)-8-nitro-1H-quinolin-4-one

C11H9FN2O4 — CID 139782460

IUPAC6-fluoro-3-(methoxymethyl)-8-nitro-1H-quinolin-4-one
SMILESCOCc1c[nH]c2c([N+](=O)[O-])cc(F)cc2c1=O
InChIInChI=1S/C11H9FN2O4/c1-18-5-6-4-13-10-8(11(6)15)2-7(12)3-9(10)14(16)17/h2-4H,5H2,1H3,(H,13,15)
InChIKeyVCMFINMQQLBQNB-UHFFFAOYSA-N
MW252.20 g/mol
LogP1.72
Rot. Bonds3

About 6-fluoro-3-(methoxymethyl)-8-nitro-1H-quinolin-4-one

6-fluoro-3-(methoxymethyl)-8-nitro-1H-quinolin-4-one (PubChem CID 139782460) has the molecular formula C11H9FN2O4 and a molecular weight of 252.20 g/mol. Its IUPAC name is 6-fluoro-3-(methoxymethyl)-8-nitro-1H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-(methoxymethyl)-8-nitro-1H-quinolin-4-one
PubChem CID139782460
Molecular FormulaC11H9FN2O4
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC Name6-fluoro-3-(methoxymethyl)-8-nitro-1H-quinolin-4-one
SMILESCOCc1c[nH]c2c([N+](=O)[O-])cc(F)cc2c1=O
InChIInChI=1S/C11H9FN2O4/c1-18-5-6-4-13-10-8(11(6)15)2-7(12)3-9(10)14(16)17/h2-4H,5H2,1H3,(H,13,15)
InChIKeyVCMFINMQQLBQNB-UHFFFAOYSA-N
XLogP1.72
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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2-ethoxy-1,5-difluoro-3-nitrobenzene
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ethyl formate;5-fluoro-7-nitro-1H-indole
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methyl 6-fluoro-8-nitro-4-oxochromene-3-carboxylate
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1-(methoxymethyl)-2-nitro-4-propan-2-ylbenzene
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1-chloro-4-methoxy-2-(methoxymethyl)-5-nitrobenzene
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(7-nitro-1H-indol-3-yl)methanamine
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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(methoxymethyl)-8-nitro-1H-quinolin-4-one?
The IUPAC name of 6-fluoro-3-(methoxymethyl)-8-nitro-1H-quinolin-4-one (CID 139782460) is 6-fluoro-3-(methoxymethyl)-8-nitro-1H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-3-(methoxymethyl)-8-nitro-1H-quinolin-4-one?
The canonical SMILES for 6-fluoro-3-(methoxymethyl)-8-nitro-1H-quinolin-4-one is COCc1c[nH]c2c([N+](=O)[O-])cc(F)cc2c1=O.
What is the InChIKey of 6-fluoro-3-(methoxymethyl)-8-nitro-1H-quinolin-4-one?
The InChIKey is VCMFINMQQLBQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O4/c1-18-5-6-4-13-10-8(11(6)15)2-7(12)3-9(10)14(16)17/h2-4H,5H2,1H3,(H,13,15).
What are the key properties of 6-fluoro-3-(methoxymethyl)-8-nitro-1H-quinolin-4-one?
6-fluoro-3-(methoxymethyl)-8-nitro-1H-quinolin-4-one has a molecular weight of 252.20 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(methoxymethyl)-8-nitro-1H-quinolin-4-one is sourced from PubChem (CID 139782460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).