1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea

C23H26N4O2 — CID 112975907

IUPAC1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea
SMILESO=C(NCCOc1ccc2ncccc2c1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H26N4O2/c28-23(26-19-6-8-20(9-7-19)27-14-2-1-3-15-27)25-13-16-29-21-10-11-22-18(17-21)5-4-12-24-22/h4-12,17H,1-3,13-16H2,(H2,25,26,28)
InChIKeyDRQQUSCLOWCNDX-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.43
Rot. Bonds6

About 1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea

1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea (PubChem CID 112975907) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea.

Molecular Properties

Compound Name1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea
PubChem CID112975907
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea
SMILESO=C(NCCOc1ccc2ncccc2c1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H26N4O2/c28-23(26-19-6-8-20(9-7-19)27-14-2-1-3-15-27)25-13-16-29-21-10-11-22-18(17-21)5-4-12-24-22/h4-12,17H,1-3,13-16H2,(H2,25,26,28)
InChIKeyDRQQUSCLOWCNDX-UHFFFAOYSA-N
XLogP4.43
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975869
1-[2-(3-fluorophenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea
CID 112970406
1-(1,3-benzodioxol-5-yl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975914
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(4-piperidin-1-ylphenyl)urea
CID 112974029
4-phenyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide
CID 112975814
1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea
CID 154773806
1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea
CID 112975863
1-(2-quinolin-6-yloxyethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 112975894
1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea
CID 112975832
2-methyl-N-(2-quinolin-6-yloxyethyl)propanamide
CID 113102128
2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922496
1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975777

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea?
The IUPAC name of 1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea (CID 112975907) is 1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea.
What is the SMILES notation for 1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea?
The canonical SMILES for 1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea is O=C(NCCOc1ccc2ncccc2c1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea?
The InChIKey is DRQQUSCLOWCNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-23(26-19-6-8-20(9-7-19)27-14-2-1-3-15-27)25-13-16-29-21-10-11-22-18(17-21)5-4-12-24-22/h4-12,17H,1-3,13-16H2,(H2,25,26,28).
What are the key properties of 1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea?
1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea has a molecular weight of 390.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea is sourced from PubChem (CID 112975907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).