6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile

C13H11N3O2 — CID 175925119

IUPAC6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile
SMILESN#Cc1cc2ncncc2cc1O[C@H]1CCOC1
InChIInChI=1S/C13H11N3O2/c14-5-9-3-12-10(6-15-8-16-12)4-13(9)18-11-1-2-17-7-11/h3-4,6,8,11H,1-2,7H2/t11-/m0/s1
InChIKeyOSWSSKIKWLMOLD-NSHDSACASA-N
MW241.25 g/mol
LogP1.67
Rot. Bonds2

About 6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile

6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile (PubChem CID 175925119) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile.

Molecular Properties

Compound Name6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile
PubChem CID175925119
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile
SMILESN#Cc1cc2ncncc2cc1O[C@H]1CCOC1
InChIInChI=1S/C13H11N3O2/c14-5-9-3-12-10(6-15-8-16-12)4-13(9)18-11-1-2-17-7-11/h3-4,6,8,11H,1-2,7H2/t11-/m0/s1
InChIKeyOSWSSKIKWLMOLD-NSHDSACASA-N
XLogP1.67
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile?
The IUPAC name of 6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile (CID 175925119) is 6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile.
What is the SMILES notation for 6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile?
The canonical SMILES for 6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile is N#Cc1cc2ncncc2cc1O[C@H]1CCOC1.
What is the InChIKey of 6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile?
The InChIKey is OSWSSKIKWLMOLD-NSHDSACASA-N. The full InChI is InChI=1S/C13H11N3O2/c14-5-9-3-12-10(6-15-8-16-12)4-13(9)18-11-1-2-17-7-11/h3-4,6,8,11H,1-2,7H2/t11-/m0/s1.
What are the key properties of 6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile?
6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile has a molecular weight of 241.25 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile is sourced from PubChem (CID 175925119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).