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

C24H27N5 — CID 127035835

IUPACN-benzyl-4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCN1CCN(c2nc(NCc3ccccc3)nc3c2CCc2ccccc2-3)CC1
InChIInChI=1S/C24H27N5/c1-28-13-15-29(16-14-28)23-21-12-11-19-9-5-6-10-20(19)22(21)26-24(27-23)25-17-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,25,26,27)
InChIKeyXYWXZLNTBBSVNH-UHFFFAOYSA-N
MW385.52 g/mol
LogP3.61
Rot. Bonds4

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

N-benzyl-4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 127035835) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is N-benzyl-4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID127035835
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC NameN-benzyl-4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCN1CCN(c2nc(NCc3ccccc3)nc3c2CCc2ccccc2-3)CC1
InChIInChI=1S/C24H27N5/c1-28-13-15-29(16-14-28)23-21-12-11-19-9-5-6-10-20(19)22(21)26-24(27-23)25-17-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,25,26,27)
InChIKeyXYWXZLNTBBSVNH-UHFFFAOYSA-N
XLogP3.61
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of N-benzyl-4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 127035835) is N-benzyl-4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for N-benzyl-4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for N-benzyl-4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine is CN1CCN(c2nc(NCc3ccccc3)nc3c2CCc2ccccc2-3)CC1.
What is the InChIKey of N-benzyl-4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is XYWXZLNTBBSVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5/c1-28-13-15-29(16-14-28)23-21-12-11-19-9-5-6-10-20(19)22(21)26-24(27-23)25-17-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,25,26,27).
What are the key properties of N-benzyl-4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
N-benzyl-4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 385.52 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 127035835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).