N-[(3-fluorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide

C21H22FN3O3 — CID 92628120

IUPACN-[(3-fluorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCOC[C@@H](C)N(Cc1cccc(F)c1)C(=O)c1nc2ccccc2n(C)c1=O
InChIInChI=1S/C21H22FN3O3/c1-14(13-28-3)25(12-15-7-6-8-16(22)11-15)21(27)19-20(26)24(2)18-10-5-4-9-17(18)23-19/h4-11,14H,12-13H2,1-3H3/t14-/m1/s1
InChIKeyGVFMLEWOKIWGRO-CQSZACIVSA-N
MW383.42 g/mol
LogP2.75
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide

N-[(3-fluorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 92628120) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide
PubChem CID92628120
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-[(3-fluorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCOC[C@@H](C)N(Cc1cccc(F)c1)C(=O)c1nc2ccccc2n(C)c1=O
InChIInChI=1S/C21H22FN3O3/c1-14(13-28-3)25(12-15-7-6-8-16(22)11-15)21(27)19-20(26)24(2)18-10-5-4-9-17(18)23-19/h4-11,14H,12-13H2,1-3H3/t14-/m1/s1
InChIKeyGVFMLEWOKIWGRO-CQSZACIVSA-N
XLogP2.75
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide (CID 92628120) is N-[(3-fluorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide is COC[C@@H](C)N(Cc1cccc(F)c1)C(=O)c1nc2ccccc2n(C)c1=O.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is GVFMLEWOKIWGRO-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-14(13-28-3)25(12-15-7-6-8-16(22)11-15)21(27)19-20(26)24(2)18-10-5-4-9-17(18)23-19/h4-11,14H,12-13H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
N-[(3-fluorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 92628120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).