N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide

C22H22FN3O3 — CID 46976130

IUPACN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCn1c(=O)c(C(=O)NCC2(c3cccc(F)c3)CCOCC2)nc2ccccc21
InChIInChI=1S/C22H22FN3O3/c1-26-18-8-3-2-7-17(18)25-19(21(26)28)20(27)24-14-22(9-11-29-12-10-22)15-5-4-6-16(23)13-15/h2-8,13H,9-12,14H2,1H3,(H,24,27)
InChIKeyIPTSGYHRYVCDMJ-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.55
Rot. Bonds4

About N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 46976130) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
PubChem CID46976130
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCn1c(=O)c(C(=O)NCC2(c3cccc(F)c3)CCOCC2)nc2ccccc21
InChIInChI=1S/C22H22FN3O3/c1-26-18-8-3-2-7-17(18)25-19(21(26)28)20(27)24-14-22(9-11-29-12-10-22)15-5-4-6-16(23)13-15/h2-8,13H,9-12,14H2,1H3,(H,24,27)
InChIKeyIPTSGYHRYVCDMJ-UHFFFAOYSA-N
XLogP2.55
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 176502841
4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 71886816
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 118776703
2-(4-fluorophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 46976047
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 146085697
2-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1,3-benzothiazole-5-carboxamide
CID 155495836
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46976116
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
3-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propanamide
CID 46974939
1-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 131935945

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide (CID 46976130) is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide is Cn1c(=O)c(C(=O)NCC2(c3cccc(F)c3)CCOCC2)nc2ccccc21.
What is the InChIKey of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is IPTSGYHRYVCDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-26-18-8-3-2-7-17(18)25-19(21(26)28)20(27)24-14-22(9-11-29-12-10-22)15-5-4-6-16(23)13-15/h2-8,13H,9-12,14H2,1H3,(H,24,27).
What are the key properties of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 46976130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).