3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea

C21H23N3O2 — CID 50749278

IUPAC3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
SMILESCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C21H23N3O2/c1-4-24(21(26)23-18-11-7-8-14(2)15(18)3)13-16-12-20(25)22-19-10-6-5-9-17(16)19/h5-12H,4,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyULXUJSXTHXKURU-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.20
Rot. Bonds4

About 3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea

3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea (PubChem CID 50749278) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
PubChem CID50749278
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
SMILESCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C21H23N3O2/c1-4-24(21(26)23-18-11-7-8-14(2)15(18)3)13-16-12-20(25)22-19-10-6-5-9-17(16)19/h5-12H,4,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyULXUJSXTHXKURU-UHFFFAOYSA-N
XLogP4.20
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dimethylphenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749594
3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749466
3-(2,5-dimethylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylurea
CID 50749328
3-(4-ethoxyphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propylurea
CID 50749471
3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749499
3-(1,3-benzodioxol-5-yl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749407
1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749451
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylacetamide
CID 664652
N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
CID 664948
1,1-dibutyl-3-(2,3-dimethylphenyl)urea
CID 4157557
N-(2-ethylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 6456887
1-ethyl-1-[(2-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)urea
CID 138054522

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea?
The IUPAC name of 3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea (CID 50749278) is 3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea.
What is the SMILES notation for 3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea?
The canonical SMILES for 3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea is CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(C)c1C.
What is the InChIKey of 3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea?
The InChIKey is ULXUJSXTHXKURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-24(21(26)23-18-11-7-8-14(2)15(18)3)13-16-12-20(25)22-19-10-6-5-9-17(16)19/h5-12H,4,13H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea?
3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea has a molecular weight of 349.43 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea is sourced from PubChem (CID 50749278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).