1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione

C22H24N4O3 — CID 25398527

IUPAC1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
SMILESCc1cccc(N2CCN(C(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)CC2)c1
InChIInChI=1S/C22H24N4O3/c1-16-5-4-6-17(15-16)24-11-13-25(14-12-24)20(27)9-10-26-19-8-3-2-7-18(19)21(28)23-22(26)29/h2-8,15H,9-14H2,1H3,(H,23,28,29)
InChIKeyPTMMFYUYZGVDJX-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.74
Rot. Bonds4

About 1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione

1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione (PubChem CID 25398527) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
PubChem CID25398527
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
SMILESCc1cccc(N2CCN(C(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)CC2)c1
InChIInChI=1S/C22H24N4O3/c1-16-5-4-6-17(15-16)24-11-13-25(14-12-24)20(27)9-10-26-19-8-3-2-7-18(19)21(28)23-22(26)29/h2-8,15H,9-14H2,1H3,(H,23,28,29)
InChIKeyPTMMFYUYZGVDJX-UHFFFAOYSA-N
XLogP1.74
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione with MolForge

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Related Compounds

1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 51274736
1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 25392952
1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 24545134
1-[3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]quinazoline-2,4-dione
CID 31952799
1-[3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 136539345
2-[4-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 166196801
1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 41310154
3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 55694795
3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 119402779
1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256924
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 6950012
3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
CID 110330988

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione?
The IUPAC name of 1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione (CID 25398527) is 1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione is Cc1cccc(N2CCN(C(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)CC2)c1.
What is the InChIKey of 1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione?
The InChIKey is PTMMFYUYZGVDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16-5-4-6-17(15-16)24-11-13-25(14-12-24)20(27)9-10-26-19-8-3-2-7-18(19)21(28)23-22(26)29/h2-8,15H,9-14H2,1H3,(H,23,28,29).
What are the key properties of 1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione?
1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione has a molecular weight of 392.46 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione is sourced from PubChem (CID 25398527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).