N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide

C20H14FN5O — CID 122263018

IUPACN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2)ncn1)c1ccc2nccnc2c1
InChIInChI=1S/C20H14FN5O/c21-15-4-1-13(2-5-15)18-10-16(25-12-26-18)11-24-20(27)14-3-6-17-19(9-14)23-8-7-22-17/h1-10,12H,11H2,(H,24,27)
InChIKeyBXVNLTZILCPTFT-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.16
Rot. Bonds4

About N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide

N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide (PubChem CID 122263018) has the molecular formula C20H14FN5O and a molecular weight of 359.36 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide
PubChem CID122263018
Molecular FormulaC20H14FN5O
Molecular Weight359.36 g/mol
Exact Mass359.12
IUPAC NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2)ncn1)c1ccc2nccnc2c1
InChIInChI=1S/C20H14FN5O/c21-15-4-1-13(2-5-15)18-10-16(25-12-26-18)11-24-20(27)14-3-6-17-19(9-14)23-8-7-22-17/h1-10,12H,11H2,(H,24,27)
InChIKeyBXVNLTZILCPTFT-UHFFFAOYSA-N
XLogP3.16
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-cyclopropylpyrimidin-4-yl)methyl]quinoxaline-6-carboxamide
CID 122263987
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-4-methyl-3-nitrobenzamide
CID 122262752
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide
CID 122262814
2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262955
(E)-3-(4-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]prop-2-enamide
CID 122262836
2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262243
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 122262928
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122263036
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262337
1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide
CID 122262943
3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262265

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide (CID 122263018) is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide is O=C(NCc1cc(-c2ccc(F)cc2)ncn1)c1ccc2nccnc2c1.
What is the InChIKey of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide?
The InChIKey is BXVNLTZILCPTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O/c21-15-4-1-13(2-5-15)18-10-16(25-12-26-18)11-24-20(27)14-3-6-17-19(9-14)23-8-7-22-17/h1-10,12H,11H2,(H,24,27).
What are the key properties of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide?
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide has a molecular weight of 359.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 122263018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).