6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)quinazolin-4-amine;hydrochloride

C15H20BrClN4 — CID 2921783

IUPAC6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)quinazolin-4-amine;hydrochloride
SMILESCN1CCC(N(C)c2ncnc3ccc(Br)cc23)CC1.Cl
InChIInChI=1S/C15H19BrN4.ClH/c1-19-7-5-12(6-8-19)20(2)15-13-9-11(16)3-4-14(13)17-10-18-15;/h3-4,9-10,12H,5-8H2,1-2H3;1H
InChIKeyVPSVFRNIVIPLPW-UHFFFAOYSA-N
MW371.71 g/mol
LogP3.34
Rot. Bonds2

About 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)quinazolin-4-amine;hydrochloride

6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)quinazolin-4-amine;hydrochloride (PubChem CID 2921783) has the molecular formula C15H20BrClN4 and a molecular weight of 371.71 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)quinazolin-4-amine;hydrochloride
PubChem CID2921783
Molecular FormulaC15H20BrClN4
Molecular Weight371.71 g/mol
Exact Mass370.06
IUPAC Name6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)quinazolin-4-amine;hydrochloride
SMILESCN1CCC(N(C)c2ncnc3ccc(Br)cc23)CC1.Cl
InChIInChI=1S/C15H19BrN4.ClH/c1-19-7-5-12(6-8-19)20(2)15-13-9-11(16)3-4-14(13)17-10-18-15;/h3-4,9-10,12H,5-8H2,1-2H3;1H
InChIKeyVPSVFRNIVIPLPW-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.71
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)quinazolin-4-amine;hydrochloride?
The IUPAC name of 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)quinazolin-4-amine;hydrochloride (CID 2921783) is 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)quinazolin-4-amine;hydrochloride is CN1CCC(N(C)c2ncnc3ccc(Br)cc23)CC1.Cl.
What is the InChIKey of 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)quinazolin-4-amine;hydrochloride?
The InChIKey is VPSVFRNIVIPLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4.ClH/c1-19-7-5-12(6-8-19)20(2)15-13-9-11(16)3-4-14(13)17-10-18-15;/h3-4,9-10,12H,5-8H2,1-2H3;1H.
What are the key properties of 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)quinazolin-4-amine;hydrochloride?
6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)quinazolin-4-amine;hydrochloride has a molecular weight of 371.71 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 2921783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).