4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine

C17H21N5 — CID 25128822

IUPAC4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1
InChIInChI=1S/C17H21N5/c1-21-8-10-22(11-9-21)16-14-7-6-12-4-2-3-5-13(12)15(14)19-17(18)20-16/h2-5H,6-11H2,1H3,(H2,18,19,20)
InChIKeyCEUMRIVIGREJGB-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.58
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine

4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 25128822) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID25128822
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1
InChIInChI=1S/C17H21N5/c1-21-8-10-22(11-9-21)16-14-7-6-12-4-2-3-5-13(12)15(14)19-17(18)20-16/h2-5H,6-11H2,1H3,(H2,18,19,20)
InChIKeyCEUMRIVIGREJGB-UHFFFAOYSA-N
XLogP1.58
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Revaprazan
CID 204104
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine
CID 11963546
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
Revaprazan Hydrochloride
CID 204103
5-(Aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine
CID 10171676
5H-Benzo(6,7)cyclohepta(1,2-d)pyrimidin-2-amine, 4-((3R)-3-amino-1-pyrrolidinyl)-6,7-dihydro-
CID 25068753
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25071004
A-940894
CID 25071319
6-(Piperazin-1-yl)-3,5-diazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2,4,6,10,12-hexaen-4-amine
CID 25071940
6-[3-(Methylamino)azetidin-1-yl]-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25101945

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 25128822) is 4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine is CN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is CEUMRIVIGREJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-21-8-10-22(11-9-21)16-14-7-6-12-4-2-3-5-13(12)15(14)19-17(18)20-16/h2-5H,6-11H2,1H3,(H2,18,19,20).
What are the key properties of 4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 295.39 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 25128822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).