2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine

C19H21N5 — CID 25178130

IUPAC2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
SMILESCN1CCN(c2nc(Nc3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C19H21N5/c1-23-11-13-24(14-12-23)19-21-17-10-6-5-9-16(17)18(22-19)20-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,21,22)
InChIKeyJKVDXYLXSDQXQX-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.13
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine

2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine (PubChem CID 25178130) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
PubChem CID25178130
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
SMILESCN1CCN(c2nc(Nc3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C19H21N5/c1-23-11-13-24(14-12-23)19-21-17-10-6-5-9-16(17)18(22-19)20-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,21,22)
InChIKeyJKVDXYLXSDQXQX-UHFFFAOYSA-N
XLogP3.13
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine
CID 71690580
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylquinazolin-4-amine
CID 71690567
2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine
CID 71690658
4-chloro-2-(4-methylpiperazin-1-yl)quinazoline
CID 14614944
N-(2-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 7342328
N,N-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52995927
N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine
CID 10063638
ethyl 4-[4-(4-methoxyanilino)quinazolin-2-yl]piperazine-1-carboxylate
CID 71691224
N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52996241
4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline
CID 11267128
4-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)quinazoline
CID 11151417
N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 71570992

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine (CID 25178130) is 2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine is CN1CCN(c2nc(Nc3ccccc3)c3ccccc3n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine?
The InChIKey is JKVDXYLXSDQXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-23-11-13-24(14-12-23)19-21-17-10-6-5-9-16(17)18(22-19)20-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,21,22).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine?
2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine has a molecular weight of 319.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine is sourced from PubChem (CID 25178130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).