1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione

C22H26N4O2 — CID 102058215

IUPAC1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
SMILESCn1c(=O)n(CCCN2CCN(c3ccccc3)CC2)c(=O)c2ccccc21
InChIInChI=1S/C22H26N4O2/c1-23-20-11-6-5-10-19(20)21(27)26(22(23)28)13-7-12-24-14-16-25(17-15-24)18-8-3-2-4-9-18/h2-6,8-11H,7,12-17H2,1H3
InChIKeyNDTXLCGQDZZEJI-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.91
Rot. Bonds5

About 1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione

1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione (PubChem CID 102058215) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
PubChem CID102058215
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
SMILESCn1c(=O)n(CCCN2CCN(c3ccccc3)CC2)c(=O)c2ccccc21
InChIInChI=1S/C22H26N4O2/c1-23-20-11-6-5-10-19(20)21(27)26(22(23)28)13-7-12-24-14-16-25(17-15-24)18-8-3-2-4-9-18/h2-6,8-11H,7,12-17H2,1H3
InChIKeyNDTXLCGQDZZEJI-UHFFFAOYSA-N
XLogP1.91
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ketanserin
CID 3822
Altanserin
CID 3033677
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
Glycosmicine
CID 11788
Diacylglycerol Kinase Inhibitor Ii
CID 657356
2,3-Dihydro-2-(4-methylphenyl)-4(1H)-quinazolinone
CID 2818760
3-(2-Phenylethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
CID 696887
Nitraquazone
CID 68765
2-(4-(dimethylamino)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3157451
5-Fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-YL)butyl]quinazoline-2,4(1H,3H)-dione
CID 448890
3-[2-(piperidin-1-yl)ethyl]-2-sulfanylquinazolin-4(3H)-one
CID 935390
2-(4-Phenylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one
CID 4793207

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione?
The IUPAC name of 1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione (CID 102058215) is 1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione?
The canonical SMILES for 1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione is Cn1c(=O)n(CCCN2CCN(c3ccccc3)CC2)c(=O)c2ccccc21.
What is the InChIKey of 1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione?
The InChIKey is NDTXLCGQDZZEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-23-20-11-6-5-10-19(20)21(27)26(22(23)28)13-7-12-24-14-16-25(17-15-24)18-8-3-2-4-9-18/h2-6,8-11H,7,12-17H2,1H3.
What are the key properties of 1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione?
1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione has a molecular weight of 378.48 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione is sourced from PubChem (CID 102058215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).