[(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea

C13H14N4O3 — CID 135510232

IUPAC[(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea
SMILESCCn1c(=O)c(C=NNC(N)=O)c(O)c2ccccc21
InChIInChI=1S/C13H14N4O3/c1-2-17-10-6-4-3-5-8(10)11(18)9(12(17)19)7-15-16-13(14)20/h3-7,18H,2H2,1H3,(H3,14,16,20)
InChIKeyQPLHEJUWIRLDQO-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.73
Rot. Bonds3

About [(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea

[(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea (PubChem CID 135510232) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is [(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea
PubChem CID135510232
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name[(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea
SMILESCCn1c(=O)c(C=NNC(N)=O)c(O)c2ccccc21
InChIInChI=1S/C13H14N4O3/c1-2-17-10-6-4-3-5-8(10)11(18)9(12(17)19)7-15-16-13(14)20/h3-7,18H,2H2,1H3,(H3,14,16,20)
InChIKeyQPLHEJUWIRLDQO-UHFFFAOYSA-N
XLogP0.73
TPSA109.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.73
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'}

Analyze [(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea
CID 135685377
1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 136671574
1-ethyl-3-[(E)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 135679488
[(E)-(1-hexyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]thiourea
CID 135928582
[(Z)-(1-ethylindol-3-yl)methylideneamino]urea
CID 71670103
1-ethyl-4-hydroxy-3-[(3-methoxyphenyl)iminomethyl]quinolin-2-one
CID 135498669
[(1-ethyl-2-methylindol-3-yl)methylideneamino]thiourea
CID 3642739
2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 110512126
1-ethyl-4-hydroxy-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-2-oxoquinoline-3-carboxamide
CID 54688249
[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 5407269
2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 17245319
[(10-chloroanthracen-9-yl)methylideneamino]urea
CID 3282620

Frequently Asked Questions

What is the IUPAC name of [(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea?
The IUPAC name of [(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea (CID 135510232) is [(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea.
What is the SMILES notation for [(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea?
The canonical SMILES for [(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea is CCn1c(=O)c(C=NNC(N)=O)c(O)c2ccccc21.
What is the InChIKey of [(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea?
The InChIKey is QPLHEJUWIRLDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-2-17-10-6-4-3-5-8(10)11(18)9(12(17)19)7-15-16-13(14)20/h3-7,18H,2H2,1H3,(H3,14,16,20).
What are the key properties of [(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea?
[(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea has a molecular weight of 274.28 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea is sourced from PubChem (CID 135510232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).