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

C24H27N5 — CID 127036980

IUPACN-benzyl-2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-4-amine
SMILESCN1CCN(c2nc(NCc3ccccc3)c3c(n2)-c2ccccc2CC3)CC1
InChIInChI=1S/C24H27N5/c1-28-13-15-29(16-14-28)24-26-22-20-10-6-5-9-19(20)11-12-21(22)23(27-24)25-17-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,25,26,27)
InChIKeyPAICRLKZKAWHPK-UHFFFAOYSA-N
MW385.52 g/mol
LogP3.61
Rot. Bonds4

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

N-benzyl-2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-4-amine (PubChem CID 127036980) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is N-benzyl-2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-4-amine
PubChem CID127036980
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC NameN-benzyl-2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-4-amine
SMILESCN1CCN(c2nc(NCc3ccccc3)c3c(n2)-c2ccccc2CC3)CC1
InChIInChI=1S/C24H27N5/c1-28-13-15-29(16-14-28)24-26-22-20-10-6-5-9-19(20)11-12-21(22)23(27-24)25-17-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,25,26,27)
InChIKeyPAICRLKZKAWHPK-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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-4-amine?
The IUPAC name of N-benzyl-2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-4-amine (CID 127036980) is N-benzyl-2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-4-amine?
The canonical SMILES for N-benzyl-2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-4-amine is CN1CCN(c2nc(NCc3ccccc3)c3c(n2)-c2ccccc2CC3)CC1.
What is the InChIKey of N-benzyl-2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-4-amine?
The InChIKey is PAICRLKZKAWHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5/c1-28-13-15-29(16-14-28)24-26-22-20-10-6-5-9-19(20)11-12-21(22)23(27-24)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-2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-4-amine?
N-benzyl-2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-4-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-2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-4-amine is sourced from PubChem (CID 127036980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).