7-ethyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one

C25H29N3O2 — CID 142552008

IUPAC7-ethyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESCCc1ccc2c(=O)n(CC3CCN(C(=O)CCc4ccccc4)CC3)cnc2c1
InChIInChI=1S/C25H29N3O2/c1-2-19-8-10-22-23(16-19)26-18-28(25(22)30)17-21-12-14-27(15-13-21)24(29)11-9-20-6-4-3-5-7-20/h3-8,10,16,18,21H,2,9,11-15,17H2,1H3
InChIKeyGFPVRZLKRWLSOA-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.83
Rot. Bonds6

About 7-ethyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one

7-ethyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one (PubChem CID 142552008) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 7-ethyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-ethyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one
PubChem CID142552008
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name7-ethyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESCCc1ccc2c(=O)n(CC3CCN(C(=O)CCc4ccccc4)CC3)cnc2c1
InChIInChI=1S/C25H29N3O2/c1-2-19-8-10-22-23(16-19)26-18-28(25(22)30)17-21-12-14-27(15-13-21)24(29)11-9-20-6-4-3-5-7-20/h3-8,10,16,18,21H,2,9,11-15,17H2,1H3
InChIKeyGFPVRZLKRWLSOA-UHFFFAOYSA-N
XLogP3.83
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-ethyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one with MolForge

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Related Compounds

3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 4900240
7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 146079002
7-chloro-3-[[1-[(3S)-4-hydroxy-3-phenylbutanoyl]piperidin-4-yl]methyl]quinazolin-4-one
CID 138506180
3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 139023691
3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154581941
1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 18928760
1-[4-[[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 118682929
1-[4-[[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]benzimidazol-1-yl]methyl]azepan-1-yl]-3-phenylpropan-1-one
CID 145005747
8-methyl-3-[3-oxo-3-[4-(2-phenylethyl)piperidin-1-yl]propyl]quinazolin-4-one
CID 30085391
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 138988468
3-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 138989035

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 7-ethyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one (CID 142552008) is 7-ethyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 7-ethyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 7-ethyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one is CCc1ccc2c(=O)n(CC3CCN(C(=O)CCc4ccccc4)CC3)cnc2c1.
What is the InChIKey of 7-ethyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one?
The InChIKey is GFPVRZLKRWLSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-2-19-8-10-22-23(16-19)26-18-28(25(22)30)17-21-12-14-27(15-13-21)24(29)11-9-20-6-4-3-5-7-20/h3-8,10,16,18,21H,2,9,11-15,17H2,1H3.
What are the key properties of 7-ethyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one?
7-ethyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one has a molecular weight of 403.53 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 142552008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).