3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one

C14H15N3O2S — CID 122332128

IUPAC3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1CCSC1
InChIInChI=1S/C14H15N3O2S/c18-13(17-7-8-20-10-17)5-6-16-9-15-12-4-2-1-3-11(12)14(16)19/h1-4,9H,5-8,10H2
InChIKeyNTMVVZCFCQHZQP-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.32
Rot. Bonds3

About 3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one

3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one (PubChem CID 122332128) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one
PubChem CID122332128
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1CCSC1
InChIInChI=1S/C14H15N3O2S/c18-13(17-7-8-20-10-17)5-6-16-9-15-12-4-2-1-3-11(12)14(16)19/h1-4,9H,5-8,10H2
InChIKeyNTMVVZCFCQHZQP-UHFFFAOYSA-N
XLogP1.32
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]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-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239315
3-[4-(azepan-1-yl)-4-oxobutyl]quinazolin-4-one
CID 4911229
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 4900240
3-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]quinazolin-4-one
CID 56809684
3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]quinazolin-4-one;hydrochloride
CID 119578876
3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 91777595
3-[6-oxo-6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-one
CID 4904361
3-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 119623819
3-[3-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 95852150
3-[3-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 86877519

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one?
The IUPAC name of 3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one (CID 122332128) is 3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one?
The canonical SMILES for 3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one is O=C(CCn1cnc2ccccc2c1=O)N1CCSC1.
What is the InChIKey of 3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one?
The InChIKey is NTMVVZCFCQHZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-13(17-7-8-20-10-17)5-6-16-9-15-12-4-2-1-3-11(12)14(16)19/h1-4,9H,5-8,10H2.
What are the key properties of 3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one?
3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one has a molecular weight of 289.36 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one is sourced from PubChem (CID 122332128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).