ethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)acetate

C14H14N2O5 — CID 2785575

IUPACethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)acetate
SMILESCCOC(=O)Cc1c([N+](=O)[O-])c(=O)n(C)c2ccccc12
InChIInChI=1S/C14H14N2O5/c1-3-21-12(17)8-10-9-6-4-5-7-11(9)15(2)14(18)13(10)16(19)20/h4-7H,3,8H2,1-2H3
InChIKeyDWKFCZHRTYPFOY-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.55
Rot. Bonds4

About ethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)acetate

ethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)acetate (PubChem CID 2785575) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is ethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)acetate
PubChem CID2785575
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Nameethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)acetate
SMILESCCOC(=O)Cc1c([N+](=O)[O-])c(=O)n(C)c2ccccc12
InChIInChI=1S/C14H14N2O5/c1-3-21-12(17)8-10-9-6-4-5-7-11(9)15(2)14(18)13(10)16(19)20/h4-7H,3,8H2,1-2H3
InChIKeyDWKFCZHRTYPFOY-UHFFFAOYSA-N
XLogP1.55
TPSA91.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
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

ethyl 2-[(1-methyl-3-nitro-2-oxoquinolin-4-yl)amino]acetate
CID 12737477
ethyl 2-(3,6-dimethyl-2-nitrophenyl)acetate
CID 134632764
methyl 2-(1,4-dimethyl-2-oxoquinolin-3-yl)acetate
CID 13405582
pentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate
CID 54704266
ethyl 2-(2-methyl-1-phenylindol-3-yl)acetate
CID 10541758
sodium 3-ethoxycarbonyl-1-methyl-2-oxoquinolin-4-olate
CID 134113066
4-(butylamino)-1-methyl-3-nitroquinolin-2-one
CID 2877741
ethyl 2-[3-(2-acetamidoethyl)-1-methylindol-2-yl]acetate
CID 71424777
ethyl 2-[1-(4-nitrophenyl)indol-3-yl]sulfanylacetate
CID 43949428
ethyl 2-[4-[(E)-2-(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)ethenyl]phenoxy]acetate
CID 11523940
ethyl 2-(1-methyl-3-octadecanoylindol-2-yl)acetate
CID 10743452
diethyl-[2-[(1-methyl-3-nitro-2-oxoquinolin-4-yl)amino]ethyl]azanium
CID 7158065

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)acetate?
The IUPAC name of ethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)acetate (CID 2785575) is ethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)acetate?
The canonical SMILES for ethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)acetate is CCOC(=O)Cc1c([N+](=O)[O-])c(=O)n(C)c2ccccc12.
What is the InChIKey of ethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)acetate?
The InChIKey is DWKFCZHRTYPFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-3-21-12(17)8-10-9-6-4-5-7-11(9)15(2)14(18)13(10)16(19)20/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)acetate?
ethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)acetate has a molecular weight of 290.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)acetate is sourced from PubChem (CID 2785575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).