2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

C24H27FN4O2 — CID 163345436

IUPAC2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)cc1
InChIInChI=1S/C24H27FN4O2/c1-17-2-4-18(5-3-17)13-26-23(30)15-28-10-8-19(9-11-28)14-29-16-27-22-12-20(25)6-7-21(22)24(29)31/h2-7,12,16,19H,8-11,13-15H2,1H3,(H,26,30)
InChIKeyOWTCWSOUOITLHQ-UHFFFAOYSA-N
MW422.50 g/mol
LogP2.87
Rot. Bonds6

About 2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 163345436) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID163345436
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)cc1
InChIInChI=1S/C24H27FN4O2/c1-17-2-4-18(5-3-17)13-26-23(30)15-28-10-8-19(9-11-28)14-29-16-27-22-12-20(25)6-7-21(22)24(29)31/h2-7,12,16,19H,8-11,13-15H2,1H3,(H,26,30)
InChIKeyOWTCWSOUOITLHQ-UHFFFAOYSA-N
XLogP2.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide with MolForge

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Related Compounds

N-[[4-(ethoxymethyl)phenyl]methyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 167848621
7-fluoro-3-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 146078003
2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 1469402
2-[4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 163345449
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 40743657
3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154582915
7-fluoro-3-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]quinazolin-4-one
CID 146078879
7-fluoro-3-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one
CID 146079251
N-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90493771
7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 146080719
7-fluoro-3-[[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 146079002

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 163345436) is 2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)cc1.
What is the InChIKey of 2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is OWTCWSOUOITLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-17-2-4-18(5-3-17)13-26-23(30)15-28-10-8-19(9-11-28)14-29-16-27-22-12-20(25)6-7-21(22)24(29)31/h2-7,12,16,19H,8-11,13-15H2,1H3,(H,26,30).
What are the key properties of 2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 422.50 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 163345436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).