N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide

C20H20FN3O3 — CID 71956354

IUPACN-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide
SMILESCCCn1c(=O)c2cc(C)ccc2n(CC(=O)Nc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H20FN3O3/c1-3-10-23-19(26)16-11-13(2)4-9-17(16)24(20(23)27)12-18(25)22-15-7-5-14(21)6-8-15/h4-9,11H,3,10,12H2,1-2H3,(H,22,25)
InChIKeyPEKRRQNDAIGZPU-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.66
Rot. Bonds5

About N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide

N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide (PubChem CID 71956354) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide
PubChem CID71956354
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide
SMILESCCCn1c(=O)c2cc(C)ccc2n(CC(=O)Nc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H20FN3O3/c1-3-10-23-19(26)16-11-13(2)4-9-17(16)24(20(23)27)12-18(25)22-15-7-5-14(21)6-8-15/h4-9,11H,3,10,12H2,1-2H3,(H,22,25)
InChIKeyPEKRRQNDAIGZPU-UHFFFAOYSA-N
XLogP2.66
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide
CID 71956380
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 46860909
N-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide
CID 172905785
6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione
CID 71956368
N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502404
2-[1-[2-[(2,6-dichloro-4-pyridinyl)amino]-2-oxoethyl]-6-methyl-2,4-dioxoquinazolin-3-yl]acetic acid
CID 25164837
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 45030691
2-(8-chloro-1,5-dioxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)-N-(4-fluorophenyl)acetamide
CID 50768991
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 45030686
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 45030658
N-(4-fluorophenyl)-2-[1-methyl-7-(4-methylphenyl)-2,4-dioxopyrimido[4,5-d]pyrimidin-3-yl]acetamide
CID 53116283
4-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]-N-(2-methoxyethyl)butanamide
CID 15988023

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide (CID 71956354) is N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide is CCCn1c(=O)c2cc(C)ccc2n(CC(=O)Nc2ccc(F)cc2)c1=O.
What is the InChIKey of N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide?
The InChIKey is PEKRRQNDAIGZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-3-10-23-19(26)16-11-13(2)4-9-17(16)24(20(23)27)12-18(25)22-15-7-5-14(21)6-8-15/h4-9,11H,3,10,12H2,1-2H3,(H,22,25).
What are the key properties of N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide?
N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide has a molecular weight of 369.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide is sourced from PubChem (CID 71956354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).