1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea

C17H21N3O3 — CID 112975777

IUPAC1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea
SMILESO=C(NCCOc1ccc2ncccc2c1)NCC1CCCO1
InChIInChI=1S/C17H21N3O3/c21-17(20-12-15-4-2-9-22-15)19-8-10-23-14-5-6-16-13(11-14)3-1-7-18-16/h1,3,5-7,11,15H,2,4,8-10,12H2,(H2,19,20,21)
InChIKeyJGUXLCLMPHBABB-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.09
Rot. Bonds6

About 1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea

1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea (PubChem CID 112975777) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea
PubChem CID112975777
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea
SMILESO=C(NCCOc1ccc2ncccc2c1)NCC1CCCO1
InChIInChI=1S/C17H21N3O3/c21-17(20-12-15-4-2-9-22-15)19-8-10-23-14-5-6-16-13(11-14)3-1-7-18-16/h1,3,5-7,11,15H,2,4,8-10,12H2,(H2,19,20,21)
InChIKeyJGUXLCLMPHBABB-UHFFFAOYSA-N
XLogP2.09
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-methylphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea
CID 47133756
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea
CID 112975611
1-[2-(4-methylsulfonylphenoxy)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95758235
1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea
CID 112975832
1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea
CID 112975863
1-(oxolan-2-ylmethyl)-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974257
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975869
1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea
CID 175700632
1-(1,3-benzodioxol-5-yl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975914
4-N-[2-(4-methoxyphenoxy)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083297
1-(4-piperidin-1-ylphenyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975907

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea (CID 112975777) is 1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea is O=C(NCCOc1ccc2ncccc2c1)NCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea?
The InChIKey is JGUXLCLMPHBABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-17(20-12-15-4-2-9-22-15)19-8-10-23-14-5-6-16-13(11-14)3-1-7-18-16/h1,3,5-7,11,15H,2,4,8-10,12H2,(H2,19,20,21).
What are the key properties of 1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea?
1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea has a molecular weight of 315.37 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea is sourced from PubChem (CID 112975777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).