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

C20H20N2O2 — CID 135473752

IUPAC1-ethyl-4-hydroxy-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]quinolin-2-one
SMILESCCn1c(=O)c(/C(C)=N/c2ccc(C)cc2)c(O)c2ccccc21
InChIInChI=1S/C20H20N2O2/c1-4-22-17-8-6-5-7-16(17)19(23)18(20(22)24)14(3)21-15-11-9-13(2)10-12-15/h5-12,23H,4H2,1-3H3/b21-14+
InChIKeyQYHRQJGYUCCNPD-KGENOOAVSA-N
MW320.39 g/mol
LogP4.18
Rot. Bonds3

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

1-ethyl-4-hydroxy-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]quinolin-2-one (PubChem CID 135473752) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]quinolin-2-one.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]quinolin-2-one
PubChem CID135473752
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-ethyl-4-hydroxy-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]quinolin-2-one
SMILESCCn1c(=O)c(/C(C)=N/c2ccc(C)cc2)c(O)c2ccccc21
InChIInChI=1S/C20H20N2O2/c1-4-22-17-8-6-5-7-16(17)19(23)18(20(22)24)14(3)21-15-11-9-13(2)10-12-15/h5-12,23H,4H2,1-3H3/b21-14+
InChIKeyQYHRQJGYUCCNPD-KGENOOAVSA-N
XLogP4.18
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[1-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)ethylideneamino]benzenesulfonic acid
CID 135442499
4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135470083
4-hydroxy-1-methyl-3-[C-methyl-N-(4-nitrophenyl)carbonimidoyl]quinolin-2-one
CID 135496935
3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259
4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1-methylquinolin-2-one
CID 136914834
4-hydroxy-3-(N-hydroxy-C-methylcarbonimidoyl)-1-methylquinolin-2-one
CID 135419029
1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 136671574
1-ethyl-3-[(E)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 135679488
3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 135401324
N-(2,6-dimethyl-4-pyridinyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54698889
3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one
CID 135454306
4-hydroxy-1-methyl-3-[C-methyl-N-(3-nitrophenyl)carbonimidoyl]quinolin-2-one
CID 135457185

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]quinolin-2-one?
The IUPAC name of 1-ethyl-4-hydroxy-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]quinolin-2-one (CID 135473752) is 1-ethyl-4-hydroxy-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]quinolin-2-one.
What is the SMILES notation for 1-ethyl-4-hydroxy-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]quinolin-2-one?
The canonical SMILES for 1-ethyl-4-hydroxy-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]quinolin-2-one is CCn1c(=O)c(/C(C)=N/c2ccc(C)cc2)c(O)c2ccccc21.
What is the InChIKey of 1-ethyl-4-hydroxy-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]quinolin-2-one?
The InChIKey is QYHRQJGYUCCNPD-KGENOOAVSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-4-22-17-8-6-5-7-16(17)19(23)18(20(22)24)14(3)21-15-11-9-13(2)10-12-15/h5-12,23H,4H2,1-3H3/b21-14+.
What are the key properties of 1-ethyl-4-hydroxy-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]quinolin-2-one?
1-ethyl-4-hydroxy-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]quinolin-2-one has a molecular weight of 320.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]quinolin-2-one is sourced from PubChem (CID 135473752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).