N-benzyl-5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzamide

C23H18FN3O3 — CID 169027603

IUPACN-benzyl-5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzamide
SMILESO=C(NCc1ccccc1)c1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1F
InChIInChI=1S/C23H18FN3O3/c24-19-11-10-16(12-18(19)21(28)25-13-15-6-2-1-3-7-15)14-27-20-9-5-4-8-17(20)22(29)26-23(27)30/h1-12H,13-14H2,(H,25,28)(H,26,29,30)
InChIKeyIAKGWRVGUBGWJW-UHFFFAOYSA-N
MW403.41 g/mol
LogP2.81
Rot. Bonds5

About N-benzyl-5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzamide

N-benzyl-5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzamide (PubChem CID 169027603) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is N-benzyl-5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-benzyl-5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzamide
PubChem CID169027603
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC NameN-benzyl-5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzamide
SMILESO=C(NCc1ccccc1)c1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1F
InChIInChI=1S/C23H18FN3O3/c24-19-11-10-16(12-18(19)21(28)25-13-15-6-2-1-3-7-15)14-27-20-9-5-4-8-17(20)22(29)26-23(27)30/h1-12H,13-14H2,(H,25,28)(H,26,29,30)
InChIKeyIAKGWRVGUBGWJW-UHFFFAOYSA-N
XLogP2.81
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(5,7-dihydropyrrolo[3,4-b]pyrazine-6-carbonyl)-4-fluorophenyl]methyl]quinazoline-2,4-dione
CID 66546484
1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 19744058
1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 3642555
1-[[3-(4-ethoxypiperidine-1-carbonyl)-4-fluorophenyl]methyl]quinazoline-2,4-dione
CID 66548788
1-[[3-[(3S)-3-ethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione
CID 130293181
N-[2-(dimethylamino)ethyl]-5-[(2,4-dioxoquinazolin-1-yl)methyl]-N-ethyl-2-methylbenzamide
CID 123312994
1-[[3-[(3R)-4-but-2-enyl-3-methylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione
CID 158745608
N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 135925373
methyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate
CID 139956924
N-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide
CID 25238701
1-[[4-chloro-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione
CID 66546105
2-(2,4-dioxoquinazolin-1-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 17425530

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzamide?
The IUPAC name of N-benzyl-5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzamide (CID 169027603) is N-benzyl-5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzamide.
What is the SMILES notation for N-benzyl-5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzamide?
The canonical SMILES for N-benzyl-5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzamide is O=C(NCc1ccccc1)c1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1F.
What is the InChIKey of N-benzyl-5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzamide?
The InChIKey is IAKGWRVGUBGWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c24-19-11-10-16(12-18(19)21(28)25-13-15-6-2-1-3-7-15)14-27-20-9-5-4-8-17(20)22(29)26-23(27)30/h1-12H,13-14H2,(H,25,28)(H,26,29,30).
What are the key properties of N-benzyl-5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzamide?
N-benzyl-5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzamide has a molecular weight of 403.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 169027603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).