6-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline

C13H15N3O2 — CID 66751905

IUPAC6-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline
SMILESCOc1ccc2ncnc(O[C@H]3CCNC3)c2c1
InChIInChI=1S/C13H15N3O2/c1-17-9-2-3-12-11(6-9)13(16-8-15-12)18-10-4-5-14-7-10/h2-3,6,8,10,14H,4-5,7H2,1H3/t10-/m0/s1
InChIKeyOIABLMAXFKQBNE-JTQLQIEISA-N
MW245.28 g/mol
LogP1.38
Rot. Bonds3

About 6-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline

6-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline (PubChem CID 66751905) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline.

Molecular Properties

Compound Name6-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline
PubChem CID66751905
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name6-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline
SMILESCOc1ccc2ncnc(O[C@H]3CCNC3)c2c1
InChIInChI=1S/C13H15N3O2/c1-17-9-2-3-12-11(6-9)13(16-8-15-12)18-10-4-5-14-7-10/h2-3,6,8,10,14H,4-5,7H2,1H3/t10-/m0/s1
InChIKeyOIABLMAXFKQBNE-JTQLQIEISA-N
XLogP1.38
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline?
The IUPAC name of 6-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline (CID 66751905) is 6-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline.
What is the SMILES notation for 6-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline?
The canonical SMILES for 6-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline is COc1ccc2ncnc(O[C@H]3CCNC3)c2c1.
What is the InChIKey of 6-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline?
The InChIKey is OIABLMAXFKQBNE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15N3O2/c1-17-9-2-3-12-11(6-9)13(16-8-15-12)18-10-4-5-14-7-10/h2-3,6,8,10,14H,4-5,7H2,1H3/t10-/m0/s1.
What are the key properties of 6-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline?
6-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline has a molecular weight of 245.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline is sourced from PubChem (CID 66751905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).