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

C18H16N4O4 — CID 135454223

IUPAC4-hydroxy-1-methyl-3-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]quinolin-2-one
SMILESC/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C18H16N4O4/c1-11(19-20-12-7-9-13(10-8-12)22(25)26)16-17(23)14-5-3-4-6-15(14)21(2)18(16)24/h3-10,20,23H,1-2H3/b19-11+
InChIKeyHQPVFRULEBXUEY-YBFXNURJSA-N
MW352.35 g/mol
LogP2.99
Rot. Bonds4

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

4-hydroxy-1-methyl-3-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]quinolin-2-one (PubChem CID 135454223) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]quinolin-2-one
PubChem CID135454223
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name4-hydroxy-1-methyl-3-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]quinolin-2-one
SMILESC/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C18H16N4O4/c1-11(19-20-12-7-9-13(10-8-12)22(25)26)16-17(23)14-5-3-4-6-15(14)21(2)18(16)24/h3-10,20,23H,1-2H3/b19-11+
InChIKeyHQPVFRULEBXUEY-YBFXNURJSA-N
XLogP2.99
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[C-methyl-N-(3-nitrophenyl)carbonimidoyl]quinolin-2-one
CID 135457185
[(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea
CID 135482677
4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1-methylquinolin-2-one
CID 136914834
4-hydroxy-1-methyl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]quinolin-2-one
CID 54698785
3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one
CID 135454306
N-[(Z)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]-4-nitrobenzamide
CID 136828013
1-[(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]-3-phenylthiourea
CID 135482678
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
4-hydroxy-1-methyl-3-(4-nitrophenyl)sulfanylquinolin-2-one
CID 54712454
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
3-hydroxy-2-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]inden-1-one
CID 135675030

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]quinolin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]quinolin-2-one (CID 135454223) is 4-hydroxy-1-methyl-3-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]quinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]quinolin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]quinolin-2-one is C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of 4-hydroxy-1-methyl-3-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]quinolin-2-one?
The InChIKey is HQPVFRULEBXUEY-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-11(19-20-12-7-9-13(10-8-12)22(25)26)16-17(23)14-5-3-4-6-15(14)21(2)18(16)24/h3-10,20,23H,1-2H3/b19-11+.
What are the key properties of 4-hydroxy-1-methyl-3-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]quinolin-2-one?
4-hydroxy-1-methyl-3-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]quinolin-2-one has a molecular weight of 352.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]quinolin-2-one is sourced from PubChem (CID 135454223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).