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

C13H15BrN4 — CID 720655

IUPAC6-bromo-4-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2ncnc3ccc(Br)cc23)CC1
InChIInChI=1S/C13H15BrN4/c1-17-4-6-18(7-5-17)13-11-8-10(14)2-3-12(11)15-9-16-13/h2-3,8-9H,4-7H2,1H3
InChIKeyRGRNAQFSIRFIOV-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.14
Rot. Bonds1

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

6-bromo-4-(4-methylpiperazin-1-yl)quinazoline (PubChem CID 720655) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 6-bromo-4-(4-methylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name6-bromo-4-(4-methylpiperazin-1-yl)quinazoline
PubChem CID720655
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name6-bromo-4-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2ncnc3ccc(Br)cc23)CC1
InChIInChI=1S/C13H15BrN4/c1-17-4-6-18(7-5-17)13-11-8-10(14)2-3-12(11)15-9-16-13/h2-3,8-9H,4-7H2,1H3
InChIKeyRGRNAQFSIRFIOV-UHFFFAOYSA-N
XLogP2.14
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.14
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-methylpiperazin-1-yl)quinazoline?
The IUPAC name of 6-bromo-4-(4-methylpiperazin-1-yl)quinazoline (CID 720655) is 6-bromo-4-(4-methylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 6-bromo-4-(4-methylpiperazin-1-yl)quinazoline?
The canonical SMILES for 6-bromo-4-(4-methylpiperazin-1-yl)quinazoline is CN1CCN(c2ncnc3ccc(Br)cc23)CC1.
What is the InChIKey of 6-bromo-4-(4-methylpiperazin-1-yl)quinazoline?
The InChIKey is RGRNAQFSIRFIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-17-4-6-18(7-5-17)13-11-8-10(14)2-3-12(11)15-9-16-13/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 6-bromo-4-(4-methylpiperazin-1-yl)quinazoline?
6-bromo-4-(4-methylpiperazin-1-yl)quinazoline has a molecular weight of 307.19 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(4-methylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 720655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).