6-bromo-4-phenyl-2-pyrrolidin-1-ylquinazoline

C18H16BrN3 — CID 3574106

IUPAC6-bromo-4-phenyl-2-pyrrolidin-1-ylquinazoline
SMILESBrc1ccc2nc(N3CCCC3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C18H16BrN3/c19-14-8-9-16-15(12-14)17(13-6-2-1-3-7-13)21-18(20-16)22-10-4-5-11-22/h1-3,6-9,12H,4-5,10-11H2
InChIKeyQZNPHMKODMQJKI-UHFFFAOYSA-N
MW354.25 g/mol
LogP4.66
Rot. Bonds2

About 6-bromo-4-phenyl-2-pyrrolidin-1-ylquinazoline

6-bromo-4-phenyl-2-pyrrolidin-1-ylquinazoline (PubChem CID 3574106) has the molecular formula C18H16BrN3 and a molecular weight of 354.25 g/mol. Its IUPAC name is 6-bromo-4-phenyl-2-pyrrolidin-1-ylquinazoline.

Molecular Properties

Compound Name6-bromo-4-phenyl-2-pyrrolidin-1-ylquinazoline
PubChem CID3574106
Molecular FormulaC18H16BrN3
Molecular Weight354.25 g/mol
Exact Mass353.05
IUPAC Name6-bromo-4-phenyl-2-pyrrolidin-1-ylquinazoline
SMILESBrc1ccc2nc(N3CCCC3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C18H16BrN3/c19-14-8-9-16-15(12-14)17(13-6-2-1-3-7-13)21-18(20-16)22-10-4-5-11-22/h1-3,6-9,12H,4-5,10-11H2
InChIKeyQZNPHMKODMQJKI-UHFFFAOYSA-N
XLogP4.66
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-phenyl-2-pyrrolidin-1-ylquinazoline?
The IUPAC name of 6-bromo-4-phenyl-2-pyrrolidin-1-ylquinazoline (CID 3574106) is 6-bromo-4-phenyl-2-pyrrolidin-1-ylquinazoline.
What is the SMILES notation for 6-bromo-4-phenyl-2-pyrrolidin-1-ylquinazoline?
The canonical SMILES for 6-bromo-4-phenyl-2-pyrrolidin-1-ylquinazoline is Brc1ccc2nc(N3CCCC3)nc(-c3ccccc3)c2c1.
What is the InChIKey of 6-bromo-4-phenyl-2-pyrrolidin-1-ylquinazoline?
The InChIKey is QZNPHMKODMQJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3/c19-14-8-9-16-15(12-14)17(13-6-2-1-3-7-13)21-18(20-16)22-10-4-5-11-22/h1-3,6-9,12H,4-5,10-11H2.
What are the key properties of 6-bromo-4-phenyl-2-pyrrolidin-1-ylquinazoline?
6-bromo-4-phenyl-2-pyrrolidin-1-ylquinazoline has a molecular weight of 354.25 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-phenyl-2-pyrrolidin-1-ylquinazoline is sourced from PubChem (CID 3574106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).