N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide

C23H25FN4O2 — CID 71709864

IUPACN-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc2ccc(F)cc2c(=O)n1CC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H25FN4O2/c1-16-25-21-8-7-18(24)13-20(21)23(30)28(16)15-22(29)26-19-9-11-27(12-10-19)14-17-5-3-2-4-6-17/h2-8,13,19H,9-12,14-15H2,1H3,(H,26,29)
InChIKeyOBALFUYGOUTBNG-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.62
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide

N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 71709864) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID71709864
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc2ccc(F)cc2c(=O)n1CC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H25FN4O2/c1-16-25-21-8-7-18(24)13-20(21)23(30)28(16)15-22(29)26-19-9-11-27(12-10-19)14-17-5-3-2-4-6-17/h2-8,13,19H,9-12,14-15H2,1H3,(H,26,29)
InChIKeyOBALFUYGOUTBNG-UHFFFAOYSA-N
XLogP2.62
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 71700514
2-(2-methyl-4-oxoquinazolin-3-yl)-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 55694353
N-(1-benzylpiperidin-4-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 34363205
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 46962440
N-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 35558093
N-(1-benzylpiperidin-4-yl)-5-fluoro-1,2-dimethylindole-3-carboxamide
CID 13490823
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17250306
2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide
CID 1166520
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8542398
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 53207408

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide (CID 71709864) is N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is OBALFUYGOUTBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-16-25-21-8-7-18(24)13-20(21)23(30)28(16)15-22(29)26-19-9-11-27(12-10-19)14-17-5-3-2-4-6-17/h2-8,13,19H,9-12,14-15H2,1H3,(H,26,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 408.48 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 71709864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).