1-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]urea

C18H16N4O3 — CID 2981274

IUPAC1-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]urea
SMILESO=C(COc1cccc2cccnc12)NNC(=O)Nc1ccccc1
InChIInChI=1S/C18H16N4O3/c23-16(21-22-18(24)20-14-8-2-1-3-9-14)12-25-15-10-4-6-13-7-5-11-19-17(13)15/h1-11H,12H2,(H,21,23)(H2,20,22,24)
InChIKeyQJJMRVDSIMGTOO-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.47
Rot. Bonds4

About 1-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]urea

1-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]urea (PubChem CID 2981274) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 1-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]urea.

Molecular Properties

Compound Name1-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]urea
PubChem CID2981274
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name1-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]urea
SMILESO=C(COc1cccc2cccnc12)NNC(=O)Nc1ccccc1
InChIInChI=1S/C18H16N4O3/c23-16(21-22-18(24)20-14-8-2-1-3-9-14)12-25-15-10-4-6-13-7-5-11-19-17(13)15/h1-11H,12H2,(H,21,23)(H2,20,22,24)
InChIKeyQJJMRVDSIMGTOO-UHFFFAOYSA-N
XLogP2.47
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-quinolin-8-yloxyacetyl)benzohydrazide
CID 2981693
2-[2-(2-quinolin-8-yloxyacetyl)hydrazinyl]acetic acid
CID 4029060
N-(3-acetylphenyl)-2-quinolin-8-yloxyacetamide
CID 2595236
methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate
CID 26217849
N-(2-ethylphenyl)-2-quinolin-8-yloxyacetamide
CID 40655687
N-tert-butyl-2-quinolin-8-yloxyacetamide
CID 7893996
N',N'-dimethyl-2-quinolin-8-yloxyacetohydrazide
CID 116820845
N-(2-tert-butylphenyl)-2-quinolin-8-yloxyacetamide
CID 31050049
2-quinolin-8-yloxyacetate
CID 6950984
N-(2,2-dimethylpropyl)-2-quinolin-8-yloxyacetamide
CID 99820790
N-(2,3-dimethylphenyl)-2-quinolin-8-yloxyacetamide
CID 94221258
N-(3-fluoro-4-methylphenyl)-2-quinolin-8-yloxyacetamide
CID 7893982

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]urea?
The IUPAC name of 1-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]urea (CID 2981274) is 1-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]urea.
What is the SMILES notation for 1-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]urea?
The canonical SMILES for 1-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]urea is O=C(COc1cccc2cccnc12)NNC(=O)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]urea?
The InChIKey is QJJMRVDSIMGTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-16(21-22-18(24)20-14-8-2-1-3-9-14)12-25-15-10-4-6-13-7-5-11-19-17(13)15/h1-11H,12H2,(H,21,23)(H2,20,22,24).
What are the key properties of 1-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]urea?
1-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]urea has a molecular weight of 336.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]urea is sourced from PubChem (CID 2981274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).