4-chloro-2-(4-methylpiperazin-1-yl)quinazoline

C13H15ClN4 — CID 14614944

IUPAC4-chloro-2-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2nc(Cl)c3ccccc3n2)CC1
InChIInChI=1S/C13H15ClN4/c1-17-6-8-18(9-7-17)13-15-11-5-3-2-4-10(11)12(14)16-13/h2-5H,6-9H2,1H3
InChIKeyXFBCVIHYNZDKMC-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.04
Rot. Bonds1

About 4-chloro-2-(4-methylpiperazin-1-yl)quinazoline

4-chloro-2-(4-methylpiperazin-1-yl)quinazoline (PubChem CID 14614944) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-chloro-2-(4-methylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name4-chloro-2-(4-methylpiperazin-1-yl)quinazoline
PubChem CID14614944
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name4-chloro-2-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2nc(Cl)c3ccccc3n2)CC1
InChIInChI=1S/C13H15ClN4/c1-17-6-8-18(9-7-17)13-15-11-5-3-2-4-10(11)12(14)16-13/h2-5H,6-9H2,1H3
InChIKeyXFBCVIHYNZDKMC-UHFFFAOYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methylpiperazin-1-yl)quinazoline?
The IUPAC name of 4-chloro-2-(4-methylpiperazin-1-yl)quinazoline (CID 14614944) is 4-chloro-2-(4-methylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 4-chloro-2-(4-methylpiperazin-1-yl)quinazoline?
The canonical SMILES for 4-chloro-2-(4-methylpiperazin-1-yl)quinazoline is CN1CCN(c2nc(Cl)c3ccccc3n2)CC1.
What is the InChIKey of 4-chloro-2-(4-methylpiperazin-1-yl)quinazoline?
The InChIKey is XFBCVIHYNZDKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-17-6-8-18(9-7-17)13-15-11-5-3-2-4-10(11)12(14)16-13/h2-5H,6-9H2,1H3.
What are the key properties of 4-chloro-2-(4-methylpiperazin-1-yl)quinazoline?
4-chloro-2-(4-methylpiperazin-1-yl)quinazoline has a molecular weight of 262.74 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 14614944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).