3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one

C23H30N6O2 — CID 90560987

IUPAC3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one
SMILESCC(C)c1nccn1CCN1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C23H30N6O2/c1-18(2)22-24-8-10-28(22)16-13-26-11-14-27(15-12-26)21(30)7-9-29-17-25-20-6-4-3-5-19(20)23(29)31/h3-6,8,10,17-18H,7,9,11-16H2,1-2H3
InChIKeyVRPSVFLZTXKOMV-UHFFFAOYSA-N
MW422.53 g/mol
LogP1.95
Rot. Bonds7

About 3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one

3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one (PubChem CID 90560987) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one
PubChem CID90560987
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one
SMILESCC(C)c1nccn1CCN1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C23H30N6O2/c1-18(2)22-24-8-10-28(22)16-13-26-11-14-27(15-12-26)21(30)7-9-29-17-25-20-6-4-3-5-19(20)23(29)31/h3-6,8,10,17-18H,7,9,11-16H2,1-2H3
InChIKeyVRPSVFLZTXKOMV-UHFFFAOYSA-N
XLogP1.95
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one with MolForge

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Related Compounds

3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
N-cyclopropyl-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 55462563
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
3-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]quinazolin-4-one
CID 56809684
3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 97278686
N-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 55462485
3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 90506363
3-[3-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 121152128
3-cyclohexyl-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561013
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 4900240
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55656687
3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one
CID 122332128

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one?
The IUPAC name of 3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one (CID 90560987) is 3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one?
The canonical SMILES for 3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one is CC(C)c1nccn1CCN1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1.
What is the InChIKey of 3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one?
The InChIKey is VRPSVFLZTXKOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-18(2)22-24-8-10-28(22)16-13-26-11-14-27(15-12-26)21(30)7-9-29-17-25-20-6-4-3-5-19(20)23(29)31/h3-6,8,10,17-18H,7,9,11-16H2,1-2H3.
What are the key properties of 3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one?
3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one has a molecular weight of 422.53 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one is sourced from PubChem (CID 90560987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).