1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea

C22H24N4O — CID 44525916

IUPAC1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea
SMILESCc1ccc(NC(=O)NC2CCN(c3ccnc4ccccc34)CC2)cc1
InChIInChI=1S/C22H24N4O/c1-16-6-8-17(9-7-16)24-22(27)25-18-11-14-26(15-12-18)21-10-13-23-20-5-3-2-4-19(20)21/h2-10,13,18H,11-12,14-15H2,1H3,(H2,24,25,27)
InChIKeyYFQLISAZWYHDSE-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.33
Rot. Bonds3

About 1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea

1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea (PubChem CID 44525916) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea
PubChem CID44525916
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea
SMILESCc1ccc(NC(=O)NC2CCN(c3ccnc4ccccc34)CC2)cc1
InChIInChI=1S/C22H24N4O/c1-16-6-8-17(9-7-16)24-22(27)25-18-11-14-26(15-12-18)21-10-13-23-20-5-3-2-4-19(20)21/h2-10,13,18H,11-12,14-15H2,1H3,(H2,24,25,27)
InChIKeyYFQLISAZWYHDSE-UHFFFAOYSA-N
XLogP4.33
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea (CID 44525916) is 1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea is Cc1ccc(NC(=O)NC2CCN(c3ccnc4ccccc34)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea?
The InChIKey is YFQLISAZWYHDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-6-8-17(9-7-16)24-22(27)25-18-11-14-26(15-12-18)21-10-13-23-20-5-3-2-4-19(20)21/h2-10,13,18H,11-12,14-15H2,1H3,(H2,24,25,27).
What are the key properties of 1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea?
1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea has a molecular weight of 360.46 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea is sourced from PubChem (CID 44525916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).