1-isoquinolin-8-yl-3-(oxolan-3-yl)urea

C14H15N3O2 — CID 115759515

IUPAC1-isoquinolin-8-yl-3-(oxolan-3-yl)urea
SMILESO=C(Nc1cccc2ccncc12)NC1CCOC1
InChIInChI=1S/C14H15N3O2/c18-14(16-11-5-7-19-9-11)17-13-3-1-2-10-4-6-15-8-12(10)13/h1-4,6,8,11H,5,7,9H2,(H2,16,17,18)
InChIKeyJIKPHWSUNHYWHP-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.15
Rot. Bonds2

About 1-isoquinolin-8-yl-3-(oxolan-3-yl)urea

1-isoquinolin-8-yl-3-(oxolan-3-yl)urea (PubChem CID 115759515) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-isoquinolin-8-yl-3-(oxolan-3-yl)urea
PubChem CID115759515
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-isoquinolin-8-yl-3-(oxolan-3-yl)urea
SMILESO=C(Nc1cccc2ccncc12)NC1CCOC1
InChIInChI=1S/C14H15N3O2/c18-14(16-11-5-7-19-9-11)17-13-3-1-2-10-4-6-15-8-12(10)13/h1-4,6,8,11H,5,7,9H2,(H2,16,17,18)
InChIKeyJIKPHWSUNHYWHP-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-(oxolan-3-yl)-3-quinolin-8-ylurea
CID 115759047
1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea
CID 115758902
1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 113322039
1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 115758945
isoquinolin-8-ylurea
CID 67363282
(2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102945466
1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049579
1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea
CID 115758270
3-(oxan-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447917
2,2,2-trichloro-N-isoquinolin-8-ylacetamide
CID 22032621
1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea
CID 113321934
1-(5-hydroxy-2-pyridinyl)-3-(oxolan-3-yl)urea
CID 175479949

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-3-(oxolan-3-yl)urea?
The IUPAC name of 1-isoquinolin-8-yl-3-(oxolan-3-yl)urea (CID 115759515) is 1-isoquinolin-8-yl-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-isoquinolin-8-yl-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-isoquinolin-8-yl-3-(oxolan-3-yl)urea is O=C(Nc1cccc2ccncc12)NC1CCOC1.
What is the InChIKey of 1-isoquinolin-8-yl-3-(oxolan-3-yl)urea?
The InChIKey is JIKPHWSUNHYWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(16-11-5-7-19-9-11)17-13-3-1-2-10-4-6-15-8-12(10)13/h1-4,6,8,11H,5,7,9H2,(H2,16,17,18).
What are the key properties of 1-isoquinolin-8-yl-3-(oxolan-3-yl)urea?
1-isoquinolin-8-yl-3-(oxolan-3-yl)urea 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-isoquinolin-8-yl-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115759515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).