3-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione

C23H24N6O2 — CID 59468100

IUPAC3-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione
SMILESCc1nnc(N2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2)c2ccccc12
InChIInChI=1S/C23H24N6O2/c1-16-17-6-2-3-7-18(17)21(26-25-16)28-13-10-27(11-14-28)12-15-29-22(30)19-8-4-5-9-20(19)24-23(29)31/h2-9H,10-15H2,1H3,(H,24,31)
InChIKeyWVOFUFBBARNELG-UHFFFAOYSA-N
MW416.49 g/mol
LogP1.76
Rot. Bonds4

About 3-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione

3-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione (PubChem CID 59468100) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 3-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione
PubChem CID59468100
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name3-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione
SMILESCc1nnc(N2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2)c2ccccc12
InChIInChI=1S/C23H24N6O2/c1-16-17-6-2-3-7-18(17)21(26-25-16)28-13-10-27(11-14-28)12-15-29-22(30)19-8-4-5-9-20(19)24-23(29)31/h2-9H,10-15H2,1H3,(H,24,31)
InChIKeyWVOFUFBBARNELG-UHFFFAOYSA-N
XLogP1.76
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione (CID 59468100) is 3-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione is Cc1nnc(N2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2)c2ccccc12.
What is the InChIKey of 3-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione?
The InChIKey is WVOFUFBBARNELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-16-17-6-2-3-7-18(17)21(26-25-16)28-13-10-27(11-14-28)12-15-29-22(30)19-8-4-5-9-20(19)24-23(29)31/h2-9H,10-15H2,1H3,(H,24,31).
What are the key properties of 3-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione?
3-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione has a molecular weight of 416.49 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 59468100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).