5-(4-methylpiperazin-1-yl)-4a,8a-dihydroquinazolino[2,3-a]phthalazin-8-one

C20H21N5O — CID 150009461

IUPAC5-(4-methylpiperazin-1-yl)-4a,8a-dihydroquinazolino[2,3-a]phthalazin-8-one
SMILESCN1CCN(C2=NN3C(=O)C4C=CC=CC4=NC3=C3C=CC=CC23)CC1
InChIInChI=1S/C20H21N5O/c1-23-10-12-24(13-11-23)19-15-7-3-2-6-14(15)18-21-17-9-5-4-8-16(17)20(26)25(18)22-19/h2-9,15-16H,10-13H2,1H3
InChIKeyZLTSJOJZAXTTDQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.54
Rot. Bonds

About 5-(4-methylpiperazin-1-yl)-4a,8a-dihydroquinazolino[2,3-a]phthalazin-8-one

5-(4-methylpiperazin-1-yl)-4a,8a-dihydroquinazolino[2,3-a]phthalazin-8-one (PubChem CID 150009461) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-4a,8a-dihydroquinazolino[2,3-a]phthalazin-8-one.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-4a,8a-dihydroquinazolino[2,3-a]phthalazin-8-one
PubChem CID150009461
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name5-(4-methylpiperazin-1-yl)-4a,8a-dihydroquinazolino[2,3-a]phthalazin-8-one
SMILESCN1CCN(C2=NN3C(=O)C4C=CC=CC4=NC3=C3C=CC=CC23)CC1
InChIInChI=1S/C20H21N5O/c1-23-10-12-24(13-11-23)19-15-7-3-2-6-14(15)18-21-17-9-5-4-8-16(17)20(26)25(18)22-19/h2-9,15-16H,10-13H2,1H3
InChIKeyZLTSJOJZAXTTDQ-UHFFFAOYSA-N
XLogP1.54
TPSA51.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-4a,8a-dihydroquinazolino[2,3-a]phthalazin-8-one?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-4a,8a-dihydroquinazolino[2,3-a]phthalazin-8-one (CID 150009461) is 5-(4-methylpiperazin-1-yl)-4a,8a-dihydroquinazolino[2,3-a]phthalazin-8-one.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-4a,8a-dihydroquinazolino[2,3-a]phthalazin-8-one?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-4a,8a-dihydroquinazolino[2,3-a]phthalazin-8-one is CN1CCN(C2=NN3C(=O)C4C=CC=CC4=NC3=C3C=CC=CC23)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-4a,8a-dihydroquinazolino[2,3-a]phthalazin-8-one?
The InChIKey is ZLTSJOJZAXTTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-23-10-12-24(13-11-23)19-15-7-3-2-6-14(15)18-21-17-9-5-4-8-16(17)20(26)25(18)22-19/h2-9,15-16H,10-13H2,1H3.
What are the key properties of 5-(4-methylpiperazin-1-yl)-4a,8a-dihydroquinazolino[2,3-a]phthalazin-8-one?
5-(4-methylpiperazin-1-yl)-4a,8a-dihydroquinazolino[2,3-a]phthalazin-8-one has a molecular weight of 347.42 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-4a,8a-dihydroquinazolino[2,3-a]phthalazin-8-one is sourced from PubChem (CID 150009461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).