N,N-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine;hydrochloride

C15H22ClN5 — CID 52995927

IUPACN,N-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
SMILESCN1CCN(c2nc(N(C)C)c3ccccc3n2)CC1.Cl
InChIInChI=1S/C15H21N5.ClH/c1-18(2)14-12-6-4-5-7-13(12)16-15(17-14)20-10-8-19(3)9-11-20;/h4-7H,8-11H2,1-3H3;1H
InChIKeyNKXFYIMWHZWOHG-UHFFFAOYSA-N
MW307.83 g/mol
LogP1.87
Rot. Bonds2

About N,N-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine;hydrochloride

N,N-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine;hydrochloride (PubChem CID 52995927) has the molecular formula C15H22ClN5 and a molecular weight of 307.83 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
PubChem CID52995927
Molecular FormulaC15H22ClN5
Molecular Weight307.83 g/mol
Exact Mass307.16
IUPAC NameN,N-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
SMILESCN1CCN(c2nc(N(C)C)c3ccccc3n2)CC1.Cl
InChIInChI=1S/C15H21N5.ClH/c1-18(2)14-12-6-4-5-7-13(12)16-15(17-14)20-10-8-19(3)9-11-20;/h4-7H,8-11H2,1-3H3;1H
InChIKeyNKXFYIMWHZWOHG-UHFFFAOYSA-N
XLogP1.87
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine;hydrochloride (CID 52995927) is N,N-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine;hydrochloride is CN1CCN(c2nc(N(C)C)c3ccccc3n2)CC1.Cl.
What is the InChIKey of N,N-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine;hydrochloride?
The InChIKey is NKXFYIMWHZWOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5.ClH/c1-18(2)14-12-6-4-5-7-13(12)16-15(17-14)20-10-8-19(3)9-11-20;/h4-7H,8-11H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine;hydrochloride?
N,N-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine;hydrochloride has a molecular weight of 307.83 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 52995927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).