N-(2-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine

C23H31N5 — CID 7342328

IUPACN-(2-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
SMILESCN1CCN(c2nc(NC3C4CC5CC(C4)CC3C5)c3ccccc3n2)CC1
InChIInChI=1S/C23H31N5/c1-27-6-8-28(9-7-27)23-24-20-5-3-2-4-19(20)22(26-23)25-21-17-11-15-10-16(13-17)14-18(21)12-15/h2-5,15-18,21H,6-14H2,1H3,(H,24,25,26)
InChIKeyZTEKXNZYLQLTJR-UHFFFAOYSA-N
MW377.54 g/mol
LogP3.62
Rot. Bonds3

About N-(2-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine

N-(2-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine (PubChem CID 7342328) has the molecular formula C23H31N5 and a molecular weight of 377.54 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
PubChem CID7342328
Molecular FormulaC23H31N5
Molecular Weight377.54 g/mol
Exact Mass377.26
IUPAC NameN-(2-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
SMILESCN1CCN(c2nc(NC3C4CC5CC(C4)CC3C5)c3ccccc3n2)CC1
InChIInChI=1S/C23H31N5/c1-27-6-8-28(9-7-27)23-24-20-5-3-2-4-19(20)22(26-23)25-21-17-11-15-10-16(13-17)14-18(21)12-15/h2-5,15-18,21H,6-14H2,1H3,(H,24,25,26)
InChIKeyZTEKXNZYLQLTJR-UHFFFAOYSA-N
XLogP3.62
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
CID 25178130
N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 71570992
4-chloro-2-(4-methylpiperazin-1-yl)quinazoline
CID 14614944
N,N-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52995927
4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline
CID 11267128
N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52996241
N-benzyl-2-(4-ethylsulfonylpiperazin-1-yl)quinazolin-4-amine
CID 25144317
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine
CID 71690580
4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol
CID 145433688
N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine
CID 59682699
2-(4-methylsulfonylpiperazin-1-yl)-N-[(1S)-1-phenylethyl]quinazolin-4-amine
CID 1090838
2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
CID 2972912

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The IUPAC name of N-(2-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine (CID 7342328) is N-(2-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-(2-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The canonical SMILES for N-(2-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine is CN1CCN(c2nc(NC3C4CC5CC(C4)CC3C5)c3ccccc3n2)CC1.
What is the InChIKey of N-(2-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The InChIKey is ZTEKXNZYLQLTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5/c1-27-6-8-28(9-7-27)23-24-20-5-3-2-4-19(20)22(26-23)25-21-17-11-15-10-16(13-17)14-18(21)12-15/h2-5,15-18,21H,6-14H2,1H3,(H,24,25,26).
What are the key properties of N-(2-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
N-(2-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine has a molecular weight of 377.54 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 7342328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).