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

C21H22N4O3 — CID 51274736

IUPAC1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H22N4O3/c26-19(24-14-12-23(13-15-24)16-6-2-1-3-7-16)10-11-25-18-9-5-4-8-17(18)20(27)22-21(25)28/h1-9H,10-15H2,(H,22,27,28)
InChIKeyCYQRYSGTCUBCQY-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.43
Rot. Bonds4

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

1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione (PubChem CID 51274736) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
PubChem CID51274736
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H22N4O3/c26-19(24-14-12-23(13-15-24)16-6-2-1-3-7-16)10-11-25-18-9-5-4-8-17(18)20(27)22-21(25)28/h1-9H,10-15H2,(H,22,27,28)
InChIKeyCYQRYSGTCUBCQY-UHFFFAOYSA-N
XLogP1.43
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 25398527
1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 24545134
1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 25392952
1-[3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]quinazoline-2,4-dione
CID 31952799
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
1-[3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 136539345
1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256924
1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 119623359
2-[4-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 166196801
1-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 124589712
1-[3-[(3S,5R)-3-fluoro-5-hydroxypiperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 167763098

Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione?
The IUPAC name of 1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione (CID 51274736) is 1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione is O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione?
The InChIKey is CYQRYSGTCUBCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-19(24-14-12-23(13-15-24)16-6-2-1-3-7-16)10-11-25-18-9-5-4-8-17(18)20(27)22-21(25)28/h1-9H,10-15H2,(H,22,27,28).
What are the key properties of 1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione?
1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione has a molecular weight of 378.43 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione is sourced from PubChem (CID 51274736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).