1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea

C13H19ClN4O2 — CID 971253

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)NN1CCN(C)CC1
InChIInChI=1S/C13H19ClN4O2/c1-17-5-7-18(8-6-17)16-13(19)15-11-9-10(14)3-4-12(11)20-2/h3-4,9H,5-8H2,1-2H3,(H2,15,16,19)
InChIKeyGGLUGQLEFKUKBV-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.63
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea

1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea (PubChem CID 971253) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea
PubChem CID971253
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)NN1CCN(C)CC1
InChIInChI=1S/C13H19ClN4O2/c1-17-5-7-18(8-6-17)16-13(19)15-11-9-10(14)3-4-12(11)20-2/h3-4,9H,5-8H2,1-2H3,(H2,15,16,19)
InChIKeyGGLUGQLEFKUKBV-UHFFFAOYSA-N
XLogP1.63
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea
CID 7470131
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
1-(5-chloro-2-methoxyphenyl)-3-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 122357104
4-(5-chloro-2-methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
CID 16803555
1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)urea
CID 54459960
1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea
CID 108910159
N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147444
1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 2225448
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea
CID 972139
N-(5-chloro-2-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109008899
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea (CID 971253) is 1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea is COc1ccc(Cl)cc1NC(=O)NN1CCN(C)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea?
The InChIKey is GGLUGQLEFKUKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-17-5-7-18(8-6-17)16-13(19)15-11-9-10(14)3-4-12(11)20-2/h3-4,9H,5-8H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea has a molecular weight of 298.77 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea is sourced from PubChem (CID 971253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).