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

C22H18FN3O4 — CID 6502316

IUPAC2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)NCc1ccco1
InChIInChI=1S/C22H18FN3O4/c23-16-9-7-15(8-10-16)13-26-21(28)18-5-1-2-6-19(18)25(22(26)29)14-20(27)24-12-17-4-3-11-30-17/h1-11H,12-14H2,(H,24,27)
InChIKeyGGDIBLIUJBSIBD-UHFFFAOYSA-N
MW407.40 g/mol
LogP2.26
Rot. Bonds6

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

2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 6502316) has the molecular formula C22H18FN3O4 and a molecular weight of 407.40 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID6502316
Molecular FormulaC22H18FN3O4
Molecular Weight407.40 g/mol
Exact Mass407.13
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)NCc1ccco1
InChIInChI=1S/C22H18FN3O4/c23-16-9-7-15(8-10-16)13-26-21(28)18-5-1-2-6-19(18)25(22(26)29)14-20(27)24-12-17-4-3-11-30-17/h1-11H,12-14H2,(H,24,27)
InChIKeyGGDIBLIUJBSIBD-UHFFFAOYSA-N
XLogP2.26
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 22429523
2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide
CID 22429989
2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 6502140
N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502114
4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide
CID 22429669
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(3-phenylpropyl)acetamide
CID 46860998
4-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 3243629
N-tert-butyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46861008
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 6502338
3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 46247564
N-(furan-2-ylmethyl)-4-[[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 15995765
N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502325

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 6502316) is 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide is O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)NCc1ccco1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is GGDIBLIUJBSIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O4/c23-16-9-7-15(8-10-16)13-26-21(28)18-5-1-2-6-19(18)25(22(26)29)14-20(27)24-12-17-4-3-11-30-17/h1-11H,12-14H2,(H,24,27).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 407.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 6502316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).