2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride

C13H16Cl2N4 — CID 142636464

IUPAC2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride
SMILESCN1CCN(c2ccc3nc(Cl)ncc3c2)CC1.Cl
InChIInChI=1S/C13H15ClN4.ClH/c1-17-4-6-18(7-5-17)11-2-3-12-10(8-11)9-15-13(14)16-12;/h2-3,8-9H,4-7H2,1H3;1H
InChIKeyZGWMGZGAQLBKDC-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.46
Rot. Bonds1

About 2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride

2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride (PubChem CID 142636464) has the molecular formula C13H16Cl2N4 and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride.

Molecular Properties

Compound Name2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride
PubChem CID142636464
Molecular FormulaC13H16Cl2N4
Molecular Weight299.21 g/mol
Exact Mass298.08
IUPAC Name2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride
SMILESCN1CCN(c2ccc3nc(Cl)ncc3c2)CC1.Cl
InChIInChI=1S/C13H15ClN4.ClH/c1-17-4-6-18(7-5-17)11-2-3-12-10(8-11)9-15-13(14)16-12;/h2-3,8-9H,4-7H2,1H3;1H
InChIKeyZGWMGZGAQLBKDC-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride?
The IUPAC name of 2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride (CID 142636464) is 2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride.
What is the SMILES notation for 2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride?
The canonical SMILES for 2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride is CN1CCN(c2ccc3nc(Cl)ncc3c2)CC1.Cl.
What is the InChIKey of 2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride?
The InChIKey is ZGWMGZGAQLBKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4.ClH/c1-17-4-6-18(7-5-17)11-2-3-12-10(8-11)9-15-13(14)16-12;/h2-3,8-9H,4-7H2,1H3;1H.
What are the key properties of 2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride?
2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride has a molecular weight of 299.21 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride is sourced from PubChem (CID 142636464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).