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

C21H22FN3O3 — CID 46976097

IUPACN-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCOCC(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
InChIKeyGVFMLEWOKIWGRO-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.75
Rot. Bonds6

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

N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 46976097) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-3-oxoquinoxaline-2-carboxamide
PubChem CID46976097
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCOCC(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
InChIKeyGVFMLEWOKIWGRO-UHFFFAOYSA-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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Related Compounds

N-[(3-fluorophenyl)methyl]-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 92628120
6-chloro-N-[(3-fluorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 92627163
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46976116
N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46365046
3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 110711966
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46976130
N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16675649
N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide
CID 74242325
N-[(2-methoxyphenyl)methyl]-4-methyl-N-(1-methylpiperidin-4-yl)-3-oxoquinoxaline-2-carboxamide;hydrochloride
CID 171667548
2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide
CID 51586593
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46364977
1-ethyl-2-[(3-fluorophenyl)methyl]-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine
CID 111876957

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-3-oxoquinoxaline-2-carboxamide (CID 46976097) is N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-3-oxoquinoxaline-2-carboxamide is COCC(C)N(Cc1cccc(F)c1)C(=O)c1nc2ccccc2n(C)c1=O.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is GVFMLEWOKIWGRO-UHFFFAOYSA-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.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-3-oxoquinoxaline-2-carboxamide?
N-[(3-fluorophenyl)methyl]-N-(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-(1-methoxypropan-2-yl)-4-methyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 46976097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).