3-(2,5-dimethylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylurea

C22H25N3O2 — CID 50749328

IUPAC3-(2,5-dimethylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylurea
SMILESCc1ccc(C)c(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)c1
InChIInChI=1S/C22H25N3O2/c1-14(2)25(22(27)24-20-11-15(3)9-10-16(20)4)13-17-12-21(26)23-19-8-6-5-7-18(17)19/h5-12,14H,13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyADDWIFIJRYMSMN-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.59
Rot. Bonds4

About 3-(2,5-dimethylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylurea

3-(2,5-dimethylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylurea (PubChem CID 50749328) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylurea
PubChem CID50749328
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(2,5-dimethylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylurea
SMILESCc1ccc(C)c(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)c1
InChIInChI=1S/C22H25N3O2/c1-14(2)25(22(27)24-20-11-15(3)9-10-16(20)4)13-17-12-21(26)23-19-8-6-5-7-18(17)19/h5-12,14H,13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyADDWIFIJRYMSMN-UHFFFAOYSA-N
XLogP4.59
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.59
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
4-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide
CID 20896805
3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749278
3-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide
CID 20896798
3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749466
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573641
3,4,5-trimethoxy-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide
CID 20896802
N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
CID 664948
2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide
CID 664261
1-benzyl-3-(1H-indol-3-yl)-1-propan-2-ylurea
CID 7615872
3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749499
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylacetamide
CID 664652

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylurea?
The IUPAC name of 3-(2,5-dimethylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylurea (CID 50749328) is 3-(2,5-dimethylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylurea.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylurea?
The canonical SMILES for 3-(2,5-dimethylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylurea is Cc1ccc(C)c(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylurea?
The InChIKey is ADDWIFIJRYMSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14(2)25(22(27)24-20-11-15(3)9-10-16(20)4)13-17-12-21(26)23-19-8-6-5-7-18(17)19/h5-12,14H,13H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of 3-(2,5-dimethylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylurea?
3-(2,5-dimethylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylurea has a molecular weight of 363.46 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylurea is sourced from PubChem (CID 50749328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).