ethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate

C18H14N2O5 — CID 766186

IUPACethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH]c1=O
InChIInChI=1S/C18H14N2O5/c1-2-25-18(22)16-15(11-6-4-3-5-7-11)13-10-12(20(23)24)8-9-14(13)19-17(16)21/h3-10H,2H2,1H3,(H,19,21)
InChIKeyNRGWYUZSZRWJRA-UHFFFAOYSA-N
MW338.32 g/mol
LogP3.28
Rot. Bonds4

About ethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate

ethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate (PubChem CID 766186) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is ethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate
PubChem CID766186
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Nameethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH]c1=O
InChIInChI=1S/C18H14N2O5/c1-2-25-18(22)16-15(11-6-4-3-5-7-11)13-10-12(20(23)24)8-9-14(13)19-17(16)21/h3-10H,2H2,1H3,(H,19,21)
InChIKeyNRGWYUZSZRWJRA-UHFFFAOYSA-N
XLogP3.28
TPSA102.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 53.28
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

3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-6-nitro-4-phenyl-1H-quinolin-2-one
CID 6175110
ethyl 3-benzhydryl-5-nitro-1H-indole-2-carboxylate
CID 10501153
3-bromo-6-nitro-4-phenyl-1H-quinolin-2-one
CID 141227900
ethyl 6-nitro-4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carboxylate
CID 11782464
ethyl 5-cyano-4-(4-nitrophenyl)-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
CID 12550723
ethyl 3-benzamido-5-nitro-1H-indole-2-carboxylate
CID 11783152
methyl 4-amino-6-nitro-2-oxo-1H-quinoline-3-carboxylate
CID 14663488
(5-nitro-3-phenyl-1H-indol-2-yl) hydrogen carbonate
CID 68849165
ethyl 6-nitro-4-oxo-2-phenylchromene-3-carboxylate
CID 132514498
(Z)-3-(2-ethoxycarbonyl-5-nitro-1H-indol-3-yl)prop-2-enoic acid
CID 98007479
ethyl 2-methyl-4-(3-nitrophenyl)-6-phenylpyridine-3-carboxylate
CID 10248079
6-chloro-3-[3-(3-nitrophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 3091000

Frequently Asked Questions

What is the IUPAC name of ethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate (CID 766186) is ethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH]c1=O.
What is the InChIKey of ethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate?
The InChIKey is NRGWYUZSZRWJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-2-25-18(22)16-15(11-6-4-3-5-7-11)13-10-12(20(23)24)8-9-14(13)19-17(16)21/h3-10H,2H2,1H3,(H,19,21).
What are the key properties of ethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate?
ethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate has a molecular weight of 338.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate is sourced from PubChem (CID 766186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).