3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea

C21H22ClN3O2 — CID 50749499

IUPAC3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
SMILESCC(C)CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O2/c1-14(2)12-25(21(27)23-17-9-7-16(22)8-10-17)13-15-11-20(26)24-19-6-4-3-5-18(15)19/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyJVVUERYUBGPJHV-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.87
Rot. Bonds5

About 3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea

3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea (PubChem CID 50749499) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
PubChem CID50749499
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
SMILESCC(C)CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O2/c1-14(2)12-25(21(27)23-17-9-7-16(22)8-10-17)13-15-11-20(26)24-19-6-4-3-5-18(15)19/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyJVVUERYUBGPJHV-UHFFFAOYSA-N
XLogP4.87
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea with MolForge

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Related Compounds

3-(1,3-benzodioxol-5-yl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749407
3-(4-ethoxyphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propylurea
CID 50749471
3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749278
3-(4-chlorophenyl)-N-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 4969773
3-(2-fluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749466
1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749451
2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide
CID 664261
3-(4-chlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 21430064
3-(2,5-dimethylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylurea
CID 50749328
3-(4-chlorophenyl)-1,1-bis(2-methylpropyl)thiourea
CID 2386179
1-benzyl-3-(4-chlorophenyl)-1-(2-methylpropyl)thiourea
CID 3380711
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylacetamide
CID 664652

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea?
The IUPAC name of 3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea (CID 50749499) is 3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea is CC(C)CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea?
The InChIKey is JVVUERYUBGPJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-14(2)12-25(21(27)23-17-9-7-16(22)8-10-17)13-15-11-20(26)24-19-6-4-3-5-18(15)19/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea?
3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea has a molecular weight of 383.88 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea is sourced from PubChem (CID 50749499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).