1-(4-chlorophenyl)-3-[1-(2-methylquinolin-4-yl)piperidin-4-yl]urea

C22H23ClN4O — CID 118729660

IUPAC1-(4-chlorophenyl)-3-[1-(2-methylquinolin-4-yl)piperidin-4-yl]urea
SMILESCc1cc(N2CCC(NC(=O)Nc3ccc(Cl)cc3)CC2)c2ccccc2n1
InChIInChI=1S/C22H23ClN4O/c1-15-14-21(19-4-2-3-5-20(19)24-15)27-12-10-18(11-13-27)26-22(28)25-17-8-6-16(23)7-9-17/h2-9,14,18H,10-13H2,1H3,(H2,25,26,28)
InChIKeyGJHFWIYACRNKBC-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.99
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[1-(2-methylquinolin-4-yl)piperidin-4-yl]urea

1-(4-chlorophenyl)-3-[1-(2-methylquinolin-4-yl)piperidin-4-yl]urea (PubChem CID 118729660) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-(2-methylquinolin-4-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[1-(2-methylquinolin-4-yl)piperidin-4-yl]urea
PubChem CID118729660
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name1-(4-chlorophenyl)-3-[1-(2-methylquinolin-4-yl)piperidin-4-yl]urea
SMILESCc1cc(N2CCC(NC(=O)Nc3ccc(Cl)cc3)CC2)c2ccccc2n1
InChIInChI=1S/C22H23ClN4O/c1-15-14-21(19-4-2-3-5-20(19)24-15)27-12-10-18(11-13-27)26-22(28)25-17-8-6-16(23)7-9-17/h2-9,14,18H,10-13H2,1H3,(H2,25,26,28)
InChIKeyGJHFWIYACRNKBC-UHFFFAOYSA-N
XLogP4.99
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-(2-methylquinolin-4-yl)piperidin-4-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[1-(2-methylquinolin-4-yl)piperidin-4-yl]urea (CID 118729660) is 1-(4-chlorophenyl)-3-[1-(2-methylquinolin-4-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-(2-methylquinolin-4-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[1-(2-methylquinolin-4-yl)piperidin-4-yl]urea is Cc1cc(N2CCC(NC(=O)Nc3ccc(Cl)cc3)CC2)c2ccccc2n1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[1-(2-methylquinolin-4-yl)piperidin-4-yl]urea?
The InChIKey is GJHFWIYACRNKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-15-14-21(19-4-2-3-5-20(19)24-15)27-12-10-18(11-13-27)26-22(28)25-17-8-6-16(23)7-9-17/h2-9,14,18H,10-13H2,1H3,(H2,25,26,28).
What are the key properties of 1-(4-chlorophenyl)-3-[1-(2-methylquinolin-4-yl)piperidin-4-yl]urea?
1-(4-chlorophenyl)-3-[1-(2-methylquinolin-4-yl)piperidin-4-yl]urea has a molecular weight of 394.91 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[1-(2-methylquinolin-4-yl)piperidin-4-yl]urea is sourced from PubChem (CID 118729660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).