6-phenyl-8-pyrrolidin-3-ylquinazoline

C18H17N3 — CID 134265240

IUPAC6-phenyl-8-pyrrolidin-3-ylquinazoline
SMILESc1ccc(-c2cc(C3CCNC3)c3ncncc3c2)cc1
InChIInChI=1S/C18H17N3/c1-2-4-13(5-3-1)15-8-16-11-20-12-21-18(16)17(9-15)14-6-7-19-10-14/h1-5,8-9,11-12,14,19H,6-7,10H2
InChIKeyXDWKPXJNWUCEBC-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.37
Rot. Bonds2

About 6-phenyl-8-pyrrolidin-3-ylquinazoline

6-phenyl-8-pyrrolidin-3-ylquinazoline (PubChem CID 134265240) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-phenyl-8-pyrrolidin-3-ylquinazoline.

Molecular Properties

Compound Name6-phenyl-8-pyrrolidin-3-ylquinazoline
PubChem CID134265240
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name6-phenyl-8-pyrrolidin-3-ylquinazoline
SMILESc1ccc(-c2cc(C3CCNC3)c3ncncc3c2)cc1
InChIInChI=1S/C18H17N3/c1-2-4-13(5-3-1)15-8-16-11-20-12-21-18(16)17(9-15)14-6-7-19-10-14/h1-5,8-9,11-12,14,19H,6-7,10H2
InChIKeyXDWKPXJNWUCEBC-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-8-pyrrolidin-3-ylquinazoline?
The IUPAC name of 6-phenyl-8-pyrrolidin-3-ylquinazoline (CID 134265240) is 6-phenyl-8-pyrrolidin-3-ylquinazoline.
What is the SMILES notation for 6-phenyl-8-pyrrolidin-3-ylquinazoline?
The canonical SMILES for 6-phenyl-8-pyrrolidin-3-ylquinazoline is c1ccc(-c2cc(C3CCNC3)c3ncncc3c2)cc1.
What is the InChIKey of 6-phenyl-8-pyrrolidin-3-ylquinazoline?
The InChIKey is XDWKPXJNWUCEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-2-4-13(5-3-1)15-8-16-11-20-12-21-18(16)17(9-15)14-6-7-19-10-14/h1-5,8-9,11-12,14,19H,6-7,10H2.
What are the key properties of 6-phenyl-8-pyrrolidin-3-ylquinazoline?
6-phenyl-8-pyrrolidin-3-ylquinazoline has a molecular weight of 275.36 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-8-pyrrolidin-3-ylquinazoline is sourced from PubChem (CID 134265240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).