1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea

C24H21N3O3 — CID 112976098

IUPAC1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
SMILESO=C(NCCOc1cccc2cccnc12)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C24H21N3O3/c28-24(26-16-17-29-22-14-6-8-18-9-7-15-25-23(18)22)27-20-12-4-5-13-21(20)30-19-10-2-1-3-11-19/h1-15H,16-17H2,(H2,26,27,28)
InChIKeyUKRVWIUEBQKUJX-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.23
Rot. Bonds7

About 1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea

1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea (PubChem CID 112976098) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea.

Molecular Properties

Compound Name1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
PubChem CID112976098
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
SMILESO=C(NCCOc1cccc2cccnc12)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C24H21N3O3/c28-24(26-16-17-29-22-14-6-8-18-9-7-15-25-23(18)22)27-20-12-4-5-13-21(20)30-19-10-2-1-3-11-19/h1-15H,16-17H2,(H2,26,27,28)
InChIKeyUKRVWIUEBQKUJX-UHFFFAOYSA-N
XLogP5.23
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976035
1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea
CID 112970303
1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976064
1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975985
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975956
1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976070
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide
CID 56543299
1-(2-methyl-6-propan-2-ylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976043
1-butyl-3-(2-phenoxyphenyl)urea
CID 604054
1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975973

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea?
The IUPAC name of 1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea (CID 112976098) is 1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea.
What is the SMILES notation for 1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea?
The canonical SMILES for 1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea is O=C(NCCOc1cccc2cccnc12)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea?
The InChIKey is UKRVWIUEBQKUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-24(26-16-17-29-22-14-6-8-18-9-7-15-25-23(18)22)27-20-12-4-5-13-21(20)30-19-10-2-1-3-11-19/h1-15H,16-17H2,(H2,26,27,28).
What are the key properties of 1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea?
1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea has a molecular weight of 399.45 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea is sourced from PubChem (CID 112976098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).