3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one

C21H25N5O2 — CID 97278686

IUPAC3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESCCn1ccnc1[C@H]1CCCN(C(=O)CCn2cnc3ccccc3c2=O)C1
InChIInChI=1S/C21H25N5O2/c1-2-24-13-10-22-20(24)16-6-5-11-25(14-16)19(27)9-12-26-15-23-18-8-4-3-7-17(18)21(26)28/h3-4,7-8,10,13,15-16H,2,5-6,9,11-12,14H2,1H3/t16-/m0/s1
InChIKeyPDCHDADKOGGWBM-INIZCTEOSA-N
MW379.46 g/mol
LogP2.41
Rot. Bonds5

About 3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one

3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one (PubChem CID 97278686) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
PubChem CID97278686
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESCCn1ccnc1[C@H]1CCCN(C(=O)CCn2cnc3ccccc3c2=O)C1
InChIInChI=1S/C21H25N5O2/c1-2-24-13-10-22-20(24)16-6-5-11-25(14-16)19(27)9-12-26-15-23-18-8-4-3-7-17(18)21(26)28/h3-4,7-8,10,13,15-16H,2,5-6,9,11-12,14H2,1H3/t16-/m0/s1
InChIKeyPDCHDADKOGGWBM-INIZCTEOSA-N
XLogP2.41
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 96574064
3-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one;hydrochloride
CID 119397174
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one
CID 70721040
3-[3-oxo-3-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propyl]quinazolin-4-one
CID 100644820
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]quinazolin-4-one;hydrochloride
CID 119578876
3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one
CID 90560987
(E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one
CID 97284839
3-[3-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 121152128
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone
CID 72843426
4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239315

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one?
The IUPAC name of 3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one (CID 97278686) is 3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one?
The canonical SMILES for 3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one is CCn1ccnc1[C@H]1CCCN(C(=O)CCn2cnc3ccccc3c2=O)C1.
What is the InChIKey of 3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one?
The InChIKey is PDCHDADKOGGWBM-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-2-24-13-10-22-20(24)16-6-5-11-25(14-16)19(27)9-12-26-15-23-18-8-4-3-7-17(18)21(26)28/h3-4,7-8,10,13,15-16H,2,5-6,9,11-12,14H2,1H3/t16-/m0/s1.
What are the key properties of 3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one?
3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one has a molecular weight of 379.46 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one is sourced from PubChem (CID 97278686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).