1-(oxolan-3-yl)-3-quinolin-8-ylurea

C14H15N3O2 — CID 115759047

IUPAC1-(oxolan-3-yl)-3-quinolin-8-ylurea
SMILESO=C(Nc1cccc2cccnc12)NC1CCOC1
InChIInChI=1S/C14H15N3O2/c18-14(16-11-6-8-19-9-11)17-12-5-1-3-10-4-2-7-15-13(10)12/h1-5,7,11H,6,8-9H2,(H2,16,17,18)
InChIKeyWNWIPZHWIUONLV-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.15
Rot. Bonds2

About 1-(oxolan-3-yl)-3-quinolin-8-ylurea

1-(oxolan-3-yl)-3-quinolin-8-ylurea (PubChem CID 115759047) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-(oxolan-3-yl)-3-quinolin-8-ylurea
PubChem CID115759047
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(oxolan-3-yl)-3-quinolin-8-ylurea
SMILESO=C(Nc1cccc2cccnc12)NC1CCOC1
InChIInChI=1S/C14H15N3O2/c18-14(16-11-6-8-19-9-11)17-12-5-1-3-10-4-2-7-15-13(10)12/h1-5,7,11H,6,8-9H2,(H2,16,17,18)
InChIKeyWNWIPZHWIUONLV-UHFFFAOYSA-N
XLogP2.15
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-8-yl-3-(oxolan-3-yl)urea
CID 115759515
1-(1,1-dioxothiolan-3-yl)-3-quinolin-8-ylurea
CID 47032833
3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447917
1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea
CID 115758902
1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 115758945
1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 113322039
1-(oxan-4-ylidenemethyl)-3-quinolin-8-ylurea
CID 108913317
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283
1-quinolin-8-yl-3-(9H-xanthen-9-yl)urea
CID 5306999
N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine
CID 115916542
1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109044532

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-3-quinolin-8-ylurea?
The IUPAC name of 1-(oxolan-3-yl)-3-quinolin-8-ylurea (CID 115759047) is 1-(oxolan-3-yl)-3-quinolin-8-ylurea.
What is the SMILES notation for 1-(oxolan-3-yl)-3-quinolin-8-ylurea?
The canonical SMILES for 1-(oxolan-3-yl)-3-quinolin-8-ylurea is O=C(Nc1cccc2cccnc12)NC1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-3-quinolin-8-ylurea?
The InChIKey is WNWIPZHWIUONLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(16-11-6-8-19-9-11)17-12-5-1-3-10-4-2-7-15-13(10)12/h1-5,7,11H,6,8-9H2,(H2,16,17,18).
What are the key properties of 1-(oxolan-3-yl)-3-quinolin-8-ylurea?
1-(oxolan-3-yl)-3-quinolin-8-ylurea has a molecular weight of 257.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-3-quinolin-8-ylurea is sourced from PubChem (CID 115759047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).