N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide

C22H22FN3O3 — CID 6502325

IUPACN-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
SMILESO=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)NC1CCCC1
InChIInChI=1S/C22H22FN3O3/c23-16-11-9-15(10-12-16)13-26-21(28)18-7-3-4-8-19(18)25(22(26)29)14-20(27)24-17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13-14H2,(H,24,27)
InChIKeyHJAFCYTYOGEIAC-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.41
Rot. Bonds5

About N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide

N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 6502325) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID6502325
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
SMILESO=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)NC1CCCC1
InChIInChI=1S/C22H22FN3O3/c23-16-11-9-15(10-12-16)13-26-21(28)18-7-3-4-8-19(18)25(22(26)29)14-20(27)24-17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13-14H2,(H,24,27)
InChIKeyHJAFCYTYOGEIAC-UHFFFAOYSA-N
XLogP2.41
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[4-[1-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762459
N-(2,3-dihydro-1H-inden-1-yl)-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46861044
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 6502338
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
N-[2-(4-chlorophenyl)ethyl]-4-[[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 46247428
N-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 3235637
N-cyclohexyl-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030701
N-tert-butyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46861008
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide
CID 22430011
N-cyclohexyl-2-[6-[(4-fluorophenyl)methyl]-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide
CID 53153067
5-[1-[(4-bromophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50742795
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(3-phenylpropyl)acetamide
CID 46860998

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide (CID 6502325) is N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide is O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is HJAFCYTYOGEIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c23-16-11-9-15(10-12-16)13-26-21(28)18-7-3-4-8-19(18)25(22(26)29)14-20(27)24-17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13-14H2,(H,24,27).
What are the key properties of N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide?
N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 395.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 6502325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).