[(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea

C13H14N4O3 — CID 135482677

IUPAC[(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea
SMILESC/C(=N\NC(N)=O)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C13H14N4O3/c1-7(15-16-13(14)20)10-11(18)8-5-3-4-6-9(8)17(2)12(10)19/h3-6,18H,1-2H3,(H3,14,16,20)/b15-7+
InChIKeyHFQSCUDKSKXJQR-VIZOYTHASA-N
MW274.28 g/mol
LogP0.64
Rot. Bonds2

About [(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea

[(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea (PubChem CID 135482677) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is [(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea.

Molecular Properties

Compound Name[(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea
PubChem CID135482677
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name[(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea
SMILESC/C(=N\NC(N)=O)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C13H14N4O3/c1-7(15-16-13(14)20)10-11(18)8-5-3-4-6-9(8)17(2)12(10)19/h3-6,18H,1-2H3,(H3,14,16,20)/b15-7+
InChIKeyHFQSCUDKSKXJQR-VIZOYTHASA-N
XLogP0.64
TPSA109.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one
CID 135454306
1-[(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]-3-phenylthiourea
CID 135482678
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
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 136774510
3-[N-[(2R)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 136774511
3-[(E)-N-(6-amino-2-pyridinyl)-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 135482666
4-hydroxy-1-methyl-3-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]quinolin-2-one
CID 135454223
[1-(4-hydroxy-2-oxochromen-3-yl)ethylideneamino]urea
CID 135444488
[(Z)-1-(4-hydroxy-2-oxochromen-3-yl)ethylideneamino]urea
CID 136884261
3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 135401324

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea?
The IUPAC name of [(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea (CID 135482677) is [(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea.
What is the SMILES notation for [(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea?
The canonical SMILES for [(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea is C/C(=N\NC(N)=O)c1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of [(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea?
The InChIKey is HFQSCUDKSKXJQR-VIZOYTHASA-N. The full InChI is InChI=1S/C13H14N4O3/c1-7(15-16-13(14)20)10-11(18)8-5-3-4-6-9(8)17(2)12(10)19/h3-6,18H,1-2H3,(H3,14,16,20)/b15-7+.
What are the key properties of [(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea?
[(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea has a molecular weight of 274.28 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea is sourced from PubChem (CID 135482677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).