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

C24H26FN3O3 — CID 51951533

IUPACN-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c1=O
InChIInChI=1S/C24H26FN3O3/c1-2-27-23(30)19-9-5-6-10-20(19)28(24(27)31)15-21(29)26-22(16-7-3-4-8-16)17-11-13-18(25)14-12-17/h5-6,9-14,16,22H,2-4,7-8,15H2,1H3,(H,26,29)/t22-/m0/s1
InChIKeyXYXKLXBYRVTZGY-QFIPXVFZSA-N
MW423.49 g/mol
LogP3.37
Rot. Bonds6

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

N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (PubChem CID 51951533) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
PubChem CID51951533
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC NameN-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c1=O
InChIInChI=1S/C24H26FN3O3/c1-2-27-23(30)19-9-5-6-10-20(19)28(24(27)31)15-21(29)26-22(16-7-3-4-8-16)17-11-13-18(25)14-12-17/h5-6,9-14,16,22H,2-4,7-8,15H2,1H3,(H,26,29)/t22-/m0/s1
InChIKeyXYXKLXBYRVTZGY-QFIPXVFZSA-N
XLogP3.37
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 6502338
N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502325
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 51248297
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 24509591
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 6502232
N-cyclohexyl-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030701
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7450507
N-[cyclopropyl(phenyl)methyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 18131666
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 97021767
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 46860909
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(1-pyridin-3-ylethyl)acetamide
CID 24642200

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The IUPAC name of N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (CID 51951533) is N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.
What is the SMILES notation for N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The canonical SMILES for N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c1=O.
What is the InChIKey of N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The InChIKey is XYXKLXBYRVTZGY-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-2-27-23(30)19-9-5-6-10-20(19)28(24(27)31)15-21(29)26-22(16-7-3-4-8-16)17-11-13-18(25)14-12-17/h5-6,9-14,16,22H,2-4,7-8,15H2,1H3,(H,26,29)/t22-/m0/s1.
What are the key properties of N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide has a molecular weight of 423.49 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is sourced from PubChem (CID 51951533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).