2,4-dichloro-7-(4-methylpiperazin-1-yl)quinazoline

C13H14Cl2N4 — CID 166517361

IUPAC2,4-dichloro-7-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2ccc3c(Cl)nc(Cl)nc3c2)CC1
InChIInChI=1S/C13H14Cl2N4/c1-18-4-6-19(7-5-18)9-2-3-10-11(8-9)16-13(15)17-12(10)14/h2-3,8H,4-7H2,1H3
InChIKeyOCQBTTDOEGLFRV-UHFFFAOYSA-N
MW297.19 g/mol
LogP2.69
Rot. Bonds1

About 2,4-dichloro-7-(4-methylpiperazin-1-yl)quinazoline

2,4-dichloro-7-(4-methylpiperazin-1-yl)quinazoline (PubChem CID 166517361) has the molecular formula C13H14Cl2N4 and a molecular weight of 297.19 g/mol. Its IUPAC name is 2,4-dichloro-7-(4-methylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name2,4-dichloro-7-(4-methylpiperazin-1-yl)quinazoline
PubChem CID166517361
Molecular FormulaC13H14Cl2N4
Molecular Weight297.19 g/mol
Exact Mass296.06
IUPAC Name2,4-dichloro-7-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2ccc3c(Cl)nc(Cl)nc3c2)CC1
InChIInChI=1S/C13H14Cl2N4/c1-18-4-6-19(7-5-18)9-2-3-10-11(8-9)16-13(15)17-12(10)14/h2-3,8H,4-7H2,1H3
InChIKeyOCQBTTDOEGLFRV-UHFFFAOYSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7-(4-methylpiperazin-1-yl)quinazoline?
The IUPAC name of 2,4-dichloro-7-(4-methylpiperazin-1-yl)quinazoline (CID 166517361) is 2,4-dichloro-7-(4-methylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 2,4-dichloro-7-(4-methylpiperazin-1-yl)quinazoline?
The canonical SMILES for 2,4-dichloro-7-(4-methylpiperazin-1-yl)quinazoline is CN1CCN(c2ccc3c(Cl)nc(Cl)nc3c2)CC1.
What is the InChIKey of 2,4-dichloro-7-(4-methylpiperazin-1-yl)quinazoline?
The InChIKey is OCQBTTDOEGLFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4/c1-18-4-6-19(7-5-18)9-2-3-10-11(8-9)16-13(15)17-12(10)14/h2-3,8H,4-7H2,1H3.
What are the key properties of 2,4-dichloro-7-(4-methylpiperazin-1-yl)quinazoline?
2,4-dichloro-7-(4-methylpiperazin-1-yl)quinazoline has a molecular weight of 297.19 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7-(4-methylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 166517361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).