2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea

C13H18N4O2 — CID 83110177

IUPAC2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea
SMILESCN1C(=O)CC(NCCNC(N)=O)c2ccccc21
InChIInChI=1S/C13H18N4O2/c1-17-11-5-3-2-4-9(11)10(8-12(17)18)15-6-7-16-13(14)19/h2-5,10,15H,6-8H2,1H3,(H3,14,16,19)
InChIKeyOJHGNHRXSUYZEX-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.35
Rot. Bonds4

About 2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea

2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea (PubChem CID 83110177) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea.

Molecular Properties

Compound Name2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea
PubChem CID83110177
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea
SMILESCN1C(=O)CC(NCCNC(N)=O)c2ccccc21
InChIInChI=1S/C13H18N4O2/c1-17-11-5-3-2-4-9(11)10(8-12(17)18)15-6-7-16-13(14)19/h2-5,10,15H,6-8H2,1H3,(H3,14,16,19)
InChIKeyOJHGNHRXSUYZEX-UHFFFAOYSA-N
XLogP0.35
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea?
The IUPAC name of 2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea (CID 83110177) is 2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea.
What is the SMILES notation for 2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea?
The canonical SMILES for 2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea is CN1C(=O)CC(NCCNC(N)=O)c2ccccc21.
What is the InChIKey of 2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea?
The InChIKey is OJHGNHRXSUYZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-17-11-5-3-2-4-9(11)10(8-12(17)18)15-6-7-16-13(14)19/h2-5,10,15H,6-8H2,1H3,(H3,14,16,19).
What are the key properties of 2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea?
2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea has a molecular weight of 262.31 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)amino]ethylurea is sourced from PubChem (CID 83110177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).