3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-quinolin-3-yl-1H-pyrimidine-5-carboxamide

C21H15FN4O3 — CID 121026784

IUPAC3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-quinolin-3-yl-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C21H15FN4O3/c22-17-7-3-1-6-14(17)12-26-20(28)16(11-24-21(26)29)19(27)25-15-9-13-5-2-4-8-18(13)23-10-15/h1-11H,12H2,(H,24,29)(H,25,27)
InChIKeyRHSRNEXMZVGEOW-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.52
Rot. Bonds4

About 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-quinolin-3-yl-1H-pyrimidine-5-carboxamide

3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-quinolin-3-yl-1H-pyrimidine-5-carboxamide (PubChem CID 121026784) has the molecular formula C21H15FN4O3 and a molecular weight of 390.37 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-quinolin-3-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-quinolin-3-yl-1H-pyrimidine-5-carboxamide
PubChem CID121026784
Molecular FormulaC21H15FN4O3
Molecular Weight390.37 g/mol
Exact Mass390.11
IUPAC Name3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-quinolin-3-yl-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C21H15FN4O3/c22-17-7-3-1-6-14(17)12-26-20(28)16(11-24-21(26)29)19(27)25-15-9-13-5-2-4-8-18(13)23-10-15/h1-11H,12H2,(H,24,29)(H,25,27)
InChIKeyRHSRNEXMZVGEOW-UHFFFAOYSA-N
XLogP2.52
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121026748
N-(3-bromophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121026754
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-pyrazin-2-yl-1H-pyrimidine-5-carboxamide
CID 121026910
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-carboxamide
CID 121026900
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-phenoxyphenyl)-1H-pyrimidine-5-carboxamide
CID 121026774
3-[(2-fluorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 71778419
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(2-oxochromen-3-yl)-1H-pyrimidine-5-carboxamide
CID 121026804
5-acetyl-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 80642970
3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
CID 165435259
N-(4-bromo-2-methylphenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121026744
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide
CID 121026812
3-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027099

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-quinolin-3-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-quinolin-3-yl-1H-pyrimidine-5-carboxamide (CID 121026784) is 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-quinolin-3-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-quinolin-3-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-quinolin-3-yl-1H-pyrimidine-5-carboxamide is O=C(Nc1cnc2ccccc2c1)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-quinolin-3-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is RHSRNEXMZVGEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O3/c22-17-7-3-1-6-14(17)12-26-20(28)16(11-24-21(26)29)19(27)25-15-9-13-5-2-4-8-18(13)23-10-15/h1-11H,12H2,(H,24,29)(H,25,27).
What are the key properties of 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-quinolin-3-yl-1H-pyrimidine-5-carboxamide?
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-quinolin-3-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-quinolin-3-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121026784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).