3-[3-oxo-3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propyl]quinazolin-4-one

C24H24N6O2 — CID 47092221

IUPAC3-[3-oxo-3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C24H24N6O2/c31-21(12-15-30-16-25-20-9-5-4-8-19(20)24(30)32)29-13-10-18(11-14-29)23-26-22(27-28-23)17-6-2-1-3-7-17/h1-9,16,18H,10-15H2,(H,26,27,28)
InChIKeySZLGUXHHWQRVQD-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.98
Rot. Bonds5

About 3-[3-oxo-3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propyl]quinazolin-4-one

3-[3-oxo-3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propyl]quinazolin-4-one (PubChem CID 47092221) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-[3-oxo-3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-oxo-3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propyl]quinazolin-4-one
PubChem CID47092221
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name3-[3-oxo-3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C24H24N6O2/c31-21(12-15-30-16-25-20-9-5-4-8-19(20)24(30)32)29-13-10-18(11-14-29)23-26-22(27-28-23)17-6-2-1-3-7-17/h1-9,16,18H,10-15H2,(H,26,27,28)
InChIKeySZLGUXHHWQRVQD-UHFFFAOYSA-N
XLogP2.98
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-oxo-3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-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-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 4900240
3-[3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 56749254
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-(1,3-benzothiazol-2-yl)-1-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one
CID 51131819
3-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 119623819
3-[3-oxo-3-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one
CID 86264936
3-methyl-1-[2-oxo-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 136554810
3-[3-[4-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 95852150
4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239315
3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one
CID 122332128
N-cyclopropyl-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 55462563

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propyl]quinazolin-4-one?
The IUPAC name of 3-[3-oxo-3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propyl]quinazolin-4-one (CID 47092221) is 3-[3-oxo-3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-oxo-3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propyl]quinazolin-4-one?
The canonical SMILES for 3-[3-oxo-3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propyl]quinazolin-4-one is O=C(CCn1cnc2ccccc2c1=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of 3-[3-oxo-3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propyl]quinazolin-4-one?
The InChIKey is SZLGUXHHWQRVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c31-21(12-15-30-16-25-20-9-5-4-8-19(20)24(30)32)29-13-10-18(11-14-29)23-26-22(27-28-23)17-6-2-1-3-7-17/h1-9,16,18H,10-15H2,(H,26,27,28).
What are the key properties of 3-[3-oxo-3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propyl]quinazolin-4-one?
3-[3-oxo-3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propyl]quinazolin-4-one has a molecular weight of 428.50 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propyl]quinazolin-4-one is sourced from PubChem (CID 47092221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).