8-pyrrolidin-1-ylquinazoline

C12H13N3 — CID 66725106

IUPAC8-pyrrolidin-1-ylquinazoline
SMILESc1cc(N2CCCC2)c2ncncc2c1
InChIInChI=1S/C12H13N3/c1-2-7-15(6-1)11-5-3-4-10-8-13-9-14-12(10)11/h3-5,8-9H,1-2,6-7H2
InChIKeyBOSZKICHFKIUBE-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.23
Rot. Bonds1

About 8-pyrrolidin-1-ylquinazoline

8-pyrrolidin-1-ylquinazoline (PubChem CID 66725106) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 8-pyrrolidin-1-ylquinazoline.

Molecular Properties

Compound Name8-pyrrolidin-1-ylquinazoline
PubChem CID66725106
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name8-pyrrolidin-1-ylquinazoline
SMILESc1cc(N2CCCC2)c2ncncc2c1
InChIInChI=1S/C12H13N3/c1-2-7-15(6-1)11-5-3-4-10-8-13-9-14-12(10)11/h3-5,8-9H,1-2,6-7H2
InChIKeyBOSZKICHFKIUBE-UHFFFAOYSA-N
XLogP2.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-pyrrolidin-1-ylquinazoline?
The IUPAC name of 8-pyrrolidin-1-ylquinazoline (CID 66725106) is 8-pyrrolidin-1-ylquinazoline.
What is the SMILES notation for 8-pyrrolidin-1-ylquinazoline?
The canonical SMILES for 8-pyrrolidin-1-ylquinazoline is c1cc(N2CCCC2)c2ncncc2c1.
What is the InChIKey of 8-pyrrolidin-1-ylquinazoline?
The InChIKey is BOSZKICHFKIUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-7-15(6-1)11-5-3-4-10-8-13-9-14-12(10)11/h3-5,8-9H,1-2,6-7H2.
What are the key properties of 8-pyrrolidin-1-ylquinazoline?
8-pyrrolidin-1-ylquinazoline has a molecular weight of 199.26 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyrrolidin-1-ylquinazoline is sourced from PubChem (CID 66725106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).