6-bromo-4-(4-ethylpiperazin-1-yl)quinazoline

C14H17BrN4 — CID 720660

IUPAC6-bromo-4-(4-ethylpiperazin-1-yl)quinazoline
SMILESCCN1CCN(c2ncnc3ccc(Br)cc23)CC1
InChIInChI=1S/C14H17BrN4/c1-2-18-5-7-19(8-6-18)14-12-9-11(15)3-4-13(12)16-10-17-14/h3-4,9-10H,2,5-8H2,1H3
InChIKeyQRIYSXNSZBAVNJ-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.53
Rot. Bonds2

About 6-bromo-4-(4-ethylpiperazin-1-yl)quinazoline

6-bromo-4-(4-ethylpiperazin-1-yl)quinazoline (PubChem CID 720660) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 6-bromo-4-(4-ethylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name6-bromo-4-(4-ethylpiperazin-1-yl)quinazoline
PubChem CID720660
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name6-bromo-4-(4-ethylpiperazin-1-yl)quinazoline
SMILESCCN1CCN(c2ncnc3ccc(Br)cc23)CC1
InChIInChI=1S/C14H17BrN4/c1-2-18-5-7-19(8-6-18)14-12-9-11(15)3-4-13(12)16-10-17-14/h3-4,9-10H,2,5-8H2,1H3
InChIKeyQRIYSXNSZBAVNJ-UHFFFAOYSA-N
XLogP2.53
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(4-ethylpiperazin-1-yl)quinazoline?
The IUPAC name of 6-bromo-4-(4-ethylpiperazin-1-yl)quinazoline (CID 720660) is 6-bromo-4-(4-ethylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 6-bromo-4-(4-ethylpiperazin-1-yl)quinazoline?
The canonical SMILES for 6-bromo-4-(4-ethylpiperazin-1-yl)quinazoline is CCN1CCN(c2ncnc3ccc(Br)cc23)CC1.
What is the InChIKey of 6-bromo-4-(4-ethylpiperazin-1-yl)quinazoline?
The InChIKey is QRIYSXNSZBAVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-2-18-5-7-19(8-6-18)14-12-9-11(15)3-4-13(12)16-10-17-14/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of 6-bromo-4-(4-ethylpiperazin-1-yl)quinazoline?
6-bromo-4-(4-ethylpiperazin-1-yl)quinazoline has a molecular weight of 321.22 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(4-ethylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 720660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).