1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea

C15H17N3O2 — CID 175700632

IUPAC1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea
SMILESO=C(NCC1CCCO1)Nc1cnc2ccccc2c1
InChIInChI=1S/C15H17N3O2/c19-15(17-10-13-5-3-7-20-13)18-12-8-11-4-1-2-6-14(11)16-9-12/h1-2,4,6,8-9,13H,3,5,7,10H2,(H2,17,18,19)
InChIKeyHZSLZTHBNSPQFJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.54
Rot. Bonds3

About 1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea

1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea (PubChem CID 175700632) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea
PubChem CID175700632
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea
SMILESO=C(NCC1CCCO1)Nc1cnc2ccccc2c1
InChIInChI=1S/C15H17N3O2/c19-15(17-10-13-5-3-7-20-13)18-12-8-11-4-1-2-6-14(11)16-9-12/h1-2,4,6,8-9,13H,3,5,7,10H2,(H2,17,18,19)
InChIKeyHZSLZTHBNSPQFJ-UHFFFAOYSA-N
XLogP2.54
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea 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-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3-quinolin-3-ylurea
CID 95126841
1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 20974342
1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 70921160
1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 6466967
1-(naphthalen-2-ylcarbamothioylamino)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 97018071
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 92888719
1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975777
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 27474064
1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812547
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea (CID 175700632) is 1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea is O=C(NCC1CCCO1)Nc1cnc2ccccc2c1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea?
The InChIKey is HZSLZTHBNSPQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(17-10-13-5-3-7-20-13)18-12-8-11-4-1-2-6-14(11)16-9-12/h1-2,4,6,8-9,13H,3,5,7,10H2,(H2,17,18,19).
What are the key properties of 1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea?
1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea has a molecular weight of 271.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea is sourced from PubChem (CID 175700632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).