N-(4-fluoro-3-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide

C21H22FN3O4 — CID 6502293

IUPACN-(4-fluoro-3-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(C)c2)c1=O
InChIInChI=1S/C21H22FN3O4/c1-14-12-15(8-9-17(14)22)23-19(26)13-25-18-7-4-3-6-16(18)20(27)24(21(25)28)10-5-11-29-2/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,23,26)
InChIKeyIAZFHKUHVIKKIJ-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.29
Rot. Bonds7

About N-(4-fluoro-3-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide

N-(4-fluoro-3-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 6502293) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID6502293
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC NameN-(4-fluoro-3-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(C)c2)c1=O
InChIInChI=1S/C21H22FN3O4/c1-14-12-15(8-9-17(14)22)23-19(26)13-25-18-7-4-3-6-16(18)20(27)24(21(25)28)10-5-11-29-2/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,23,26)
InChIKeyIAZFHKUHVIKKIJ-UHFFFAOYSA-N
XLogP2.29
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide
CID 6502256
N-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 51046805
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 45030691
N-(2-chloro-4-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502262
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 46860909
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 46925452
N-(3-chloro-4-fluorophenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429987
5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50762808
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 45030686
5-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50763061
N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide
CID 46860920
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 51046822

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide (CID 6502293) is N-(4-fluoro-3-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide is COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(C)c2)c1=O.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is IAZFHKUHVIKKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4/c1-14-12-15(8-9-17(14)22)23-19(26)13-25-18-7-4-3-6-16(18)20(27)24(21(25)28)10-5-11-29-2/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,23,26).
What are the key properties of N-(4-fluoro-3-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide?
N-(4-fluoro-3-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 399.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 6502293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).