1-(2-methyl-6-propan-2-ylphenyl)-3-(2-quinolin-8-yloxyethyl)urea

C22H25N3O2 — CID 112976043

IUPAC1-(2-methyl-6-propan-2-ylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)NCCOc1cccc2cccnc12
InChIInChI=1S/C22H25N3O2/c1-15(2)18-10-4-7-16(3)20(18)25-22(26)24-13-14-27-19-11-5-8-17-9-6-12-23-21(17)19/h4-12,15H,13-14H2,1-3H3,(H2,24,25,26)
InChIKeyVHWXGYPSJPYCAF-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.87
Rot. Bonds6

About 1-(2-methyl-6-propan-2-ylphenyl)-3-(2-quinolin-8-yloxyethyl)urea

1-(2-methyl-6-propan-2-ylphenyl)-3-(2-quinolin-8-yloxyethyl)urea (PubChem CID 112976043) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(2-methyl-6-propan-2-ylphenyl)-3-(2-quinolin-8-yloxyethyl)urea.

Molecular Properties

Compound Name1-(2-methyl-6-propan-2-ylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
PubChem CID112976043
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-(2-methyl-6-propan-2-ylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)NCCOc1cccc2cccnc12
InChIInChI=1S/C22H25N3O2/c1-15(2)18-10-4-7-16(3)20(18)25-22(26)24-13-14-27-19-11-5-8-17-9-6-12-23-21(17)19/h4-12,15H,13-14H2,1-3H3,(H2,24,25,26)
InChIKeyVHWXGYPSJPYCAF-UHFFFAOYSA-N
XLogP4.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 112975528
1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976064
1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976035
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975956
1-[2-(3,4-difluorophenoxy)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 112976378
1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976070
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976098
3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 28510886
1-(2-methyl-6-propan-2-ylphenyl)-3-pyridin-2-ylurea
CID 110491803
1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975985

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-(2-quinolin-8-yloxyethyl)urea?
The IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-(2-quinolin-8-yloxyethyl)urea (CID 112976043) is 1-(2-methyl-6-propan-2-ylphenyl)-3-(2-quinolin-8-yloxyethyl)urea.
What is the SMILES notation for 1-(2-methyl-6-propan-2-ylphenyl)-3-(2-quinolin-8-yloxyethyl)urea?
The canonical SMILES for 1-(2-methyl-6-propan-2-ylphenyl)-3-(2-quinolin-8-yloxyethyl)urea is Cc1cccc(C(C)C)c1NC(=O)NCCOc1cccc2cccnc12.
What is the InChIKey of 1-(2-methyl-6-propan-2-ylphenyl)-3-(2-quinolin-8-yloxyethyl)urea?
The InChIKey is VHWXGYPSJPYCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(2)18-10-4-7-16(3)20(18)25-22(26)24-13-14-27-19-11-5-8-17-9-6-12-23-21(17)19/h4-12,15H,13-14H2,1-3H3,(H2,24,25,26).
What are the key properties of 1-(2-methyl-6-propan-2-ylphenyl)-3-(2-quinolin-8-yloxyethyl)urea?
1-(2-methyl-6-propan-2-ylphenyl)-3-(2-quinolin-8-yloxyethyl)urea has a molecular weight of 363.46 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propan-2-ylphenyl)-3-(2-quinolin-8-yloxyethyl)urea is sourced from PubChem (CID 112976043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).