4-methyl-2-(4-methylpiperazin-1-yl)-3-nitro-6H-pyrimido[2,1-b]quinazoline

C17H20N6O2 — CID 146019866

IUPAC4-methyl-2-(4-methylpiperazin-1-yl)-3-nitro-6H-pyrimido[2,1-b]quinazoline
SMILESCC1=C([N+](=O)[O-])C(N2CCN(C)CC2)=NC2=Nc3ccccc3CN21
InChIInChI=1S/C17H20N6O2/c1-12-15(23(24)25)16(21-9-7-20(2)8-10-21)19-17-18-14-6-4-3-5-13(14)11-22(12)17/h3-6H,7-11H2,1-2H3
InChIKeyBDOGQLXZTQDDGA-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.66
Rot. Bonds1

About 4-methyl-2-(4-methylpiperazin-1-yl)-3-nitro-6H-pyrimido[2,1-b]quinazoline

4-methyl-2-(4-methylpiperazin-1-yl)-3-nitro-6H-pyrimido[2,1-b]quinazoline (PubChem CID 146019866) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpiperazin-1-yl)-3-nitro-6H-pyrimido[2,1-b]quinazoline.

Molecular Properties

Compound Name4-methyl-2-(4-methylpiperazin-1-yl)-3-nitro-6H-pyrimido[2,1-b]quinazoline
PubChem CID146019866
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name4-methyl-2-(4-methylpiperazin-1-yl)-3-nitro-6H-pyrimido[2,1-b]quinazoline
SMILESCC1=C([N+](=O)[O-])C(N2CCN(C)CC2)=NC2=Nc3ccccc3CN21
InChIInChI=1S/C17H20N6O2/c1-12-15(23(24)25)16(21-9-7-20(2)8-10-21)19-17-18-14-6-4-3-5-13(14)11-22(12)17/h3-6H,7-11H2,1-2H3
InChIKeyBDOGQLXZTQDDGA-UHFFFAOYSA-N
XLogP1.66
TPSA77.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methyl-2-(4-methylpiperazin-1-yl)-3-nitro-6H-pyrimido[2,1-b]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methylpiperazin-1-yl)-10H-imidazo[2,1-c][1,4]benzodiazepine
CID 13423637
2-methyl-3-(2-methylphenyl)-4H-quinazoline
CID 174924725
(R)-(4-nitrophenyl)-[(3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl]methanol;hydrate
CID 139081496
4-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-3H-1,5-benzodiazepine
CID 71054969
2-(4-methylphenyl)-3-phenyl-4H-quinazoline
CID 174881000
2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[2,3-b][1]benzazepine
CID 139314589
2-chloro-5-(4-methylpiperazin-1-yl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine
CID 23317327
4-[4-(4-methylpiperazin-1-yl)phenyl]-10H-imidazo[2,1-c][1,4]benzodiazepine
CID 11100413
ethane;1-methyl-4-(2-nitrophenyl)-1,4-diazepane
CID 91421096
6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine
CID 21354525
ethane;3-(4-methylpiperazin-1-yl)-2-nitroaniline
CID 144667576
2-[4-(11H-benzo[c][1]benzazepin-6-yl)piperazin-1-yl]-2-methylpropanoic acid
CID 139624902

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylpiperazin-1-yl)-3-nitro-6H-pyrimido[2,1-b]quinazoline?
The IUPAC name of 4-methyl-2-(4-methylpiperazin-1-yl)-3-nitro-6H-pyrimido[2,1-b]quinazoline (CID 146019866) is 4-methyl-2-(4-methylpiperazin-1-yl)-3-nitro-6H-pyrimido[2,1-b]quinazoline.
What is the SMILES notation for 4-methyl-2-(4-methylpiperazin-1-yl)-3-nitro-6H-pyrimido[2,1-b]quinazoline?
The canonical SMILES for 4-methyl-2-(4-methylpiperazin-1-yl)-3-nitro-6H-pyrimido[2,1-b]quinazoline is CC1=C([N+](=O)[O-])C(N2CCN(C)CC2)=NC2=Nc3ccccc3CN21.
What is the InChIKey of 4-methyl-2-(4-methylpiperazin-1-yl)-3-nitro-6H-pyrimido[2,1-b]quinazoline?
The InChIKey is BDOGQLXZTQDDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-12-15(23(24)25)16(21-9-7-20(2)8-10-21)19-17-18-14-6-4-3-5-13(14)11-22(12)17/h3-6H,7-11H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylpiperazin-1-yl)-3-nitro-6H-pyrimido[2,1-b]quinazoline?
4-methyl-2-(4-methylpiperazin-1-yl)-3-nitro-6H-pyrimido[2,1-b]quinazoline has a molecular weight of 340.39 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpiperazin-1-yl)-3-nitro-6H-pyrimido[2,1-b]quinazoline is sourced from PubChem (CID 146019866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).