3-[3-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one

C20H23N5O4S — CID 121152128

IUPAC3-[3-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESCn1ccnc1S(=O)(=O)C1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C20H23N5O4S/c1-23-13-9-21-20(23)30(28,29)15-6-10-24(11-7-15)18(26)8-12-25-14-22-17-5-3-2-4-16(17)19(25)27/h2-5,9,13-15H,6-8,10-12H2,1H3
InChIKeyHRRUKOHJMANLMN-UHFFFAOYSA-N
MW429.50 g/mol
LogP0.99
Rot. Bonds5

About 3-[3-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one

3-[3-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one (PubChem CID 121152128) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 3-[3-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
PubChem CID121152128
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC Name3-[3-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESCn1ccnc1S(=O)(=O)C1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C20H23N5O4S/c1-23-13-9-21-20(23)30(28,29)15-6-10-24(11-7-15)18(26)8-12-25-14-22-17-5-3-2-4-16(17)19(25)27/h2-5,9,13-15H,6-8,10-12H2,1H3
InChIKeyHRRUKOHJMANLMN-UHFFFAOYSA-N
XLogP0.99
TPSA107.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[3-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-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-[3-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 90590574
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 4900240
3-[3-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]-3-oxopropyl]quinazolin-4-one
CID 129373882
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
3-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 119623819
3-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one;hydrochloride
CID 119397174
3-[3-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 95852150
3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 97278686
N-cyclopropyl-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 55462563
3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one
CID 90560987
3-[3-oxo-3-(4-pyridazin-3-yloxypiperidin-1-yl)propyl]quinazolin-4-one
CID 71799340

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one?
The IUPAC name of 3-[3-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one (CID 121152128) is 3-[3-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one?
The canonical SMILES for 3-[3-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one is Cn1ccnc1S(=O)(=O)C1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1.
What is the InChIKey of 3-[3-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one?
The InChIKey is HRRUKOHJMANLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-23-13-9-21-20(23)30(28,29)15-6-10-24(11-7-15)18(26)8-12-25-14-22-17-5-3-2-4-16(17)19(25)27/h2-5,9,13-15H,6-8,10-12H2,1H3.
What are the key properties of 3-[3-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one?
3-[3-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one has a molecular weight of 429.50 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one is sourced from PubChem (CID 121152128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).