4-hydroxy-1-methyl-3-[C-methyl-N-(3-nitrophenyl)carbonimidoyl]quinolin-2-one

C18H15N3O4 — CID 135457185

IUPAC4-hydroxy-1-methyl-3-[C-methyl-N-(3-nitrophenyl)carbonimidoyl]quinolin-2-one
SMILESC/C(=N\c1cccc([N+](=O)[O-])c1)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C18H15N3O4/c1-11(19-12-6-5-7-13(10-12)21(24)25)16-17(22)14-8-3-4-9-15(14)20(2)18(16)23/h3-10,22H,1-2H3/b19-11+
InChIKeyNQLOTZZERVVKSP-YBFXNURJSA-N
MW337.34 g/mol
LogP3.29
Rot. Bonds3

About 4-hydroxy-1-methyl-3-[C-methyl-N-(3-nitrophenyl)carbonimidoyl]quinolin-2-one

4-hydroxy-1-methyl-3-[C-methyl-N-(3-nitrophenyl)carbonimidoyl]quinolin-2-one (PubChem CID 135457185) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-[C-methyl-N-(3-nitrophenyl)carbonimidoyl]quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-[C-methyl-N-(3-nitrophenyl)carbonimidoyl]quinolin-2-one
PubChem CID135457185
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name4-hydroxy-1-methyl-3-[C-methyl-N-(3-nitrophenyl)carbonimidoyl]quinolin-2-one
SMILESC/C(=N\c1cccc([N+](=O)[O-])c1)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C18H15N3O4/c1-11(19-12-6-5-7-13(10-12)21(24)25)16-17(22)14-8-3-4-9-15(14)20(2)18(16)23/h3-10,22H,1-2H3/b19-11+
InChIKeyNQLOTZZERVVKSP-YBFXNURJSA-N
XLogP3.29
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-methyl-3-[C-methyl-N-(4-nitrophenyl)carbonimidoyl]quinolin-2-one
CID 135496935
4-hydroxy-1-methyl-3-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]quinolin-2-one
CID 135454223
3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one
CID 135454306
4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1-methylquinolin-2-one
CID 136914834
1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one
CID 71327652
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
4-hydroxy-1-methyl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]quinolin-2-one
CID 54698785
3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 135401324
1-butyl-4-hydroxy-3-[(3-nitrophenyl)iminomethyl]quinolin-2-one
CID 135527730
[(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea
CID 135482677
4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135525034
4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135470083

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-[C-methyl-N-(3-nitrophenyl)carbonimidoyl]quinolin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-[C-methyl-N-(3-nitrophenyl)carbonimidoyl]quinolin-2-one (CID 135457185) is 4-hydroxy-1-methyl-3-[C-methyl-N-(3-nitrophenyl)carbonimidoyl]quinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-[C-methyl-N-(3-nitrophenyl)carbonimidoyl]quinolin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-[C-methyl-N-(3-nitrophenyl)carbonimidoyl]quinolin-2-one is C/C(=N\c1cccc([N+](=O)[O-])c1)c1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of 4-hydroxy-1-methyl-3-[C-methyl-N-(3-nitrophenyl)carbonimidoyl]quinolin-2-one?
The InChIKey is NQLOTZZERVVKSP-YBFXNURJSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-11(19-12-6-5-7-13(10-12)21(24)25)16-17(22)14-8-3-4-9-15(14)20(2)18(16)23/h3-10,22H,1-2H3/b19-11+.
What are the key properties of 4-hydroxy-1-methyl-3-[C-methyl-N-(3-nitrophenyl)carbonimidoyl]quinolin-2-one?
4-hydroxy-1-methyl-3-[C-methyl-N-(3-nitrophenyl)carbonimidoyl]quinolin-2-one has a molecular weight of 337.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-[C-methyl-N-(3-nitrophenyl)carbonimidoyl]quinolin-2-one is sourced from PubChem (CID 135457185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).