1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone

C20H20N4O3 — CID 118079489

IUPAC1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3cnn(C)c3)cc2N(C(=O)c2ccco2)C[C@@H]1C
InChIInChI=1S/C20H20N4O3/c1-13-11-23(20(26)19-5-4-8-27-19)18-9-15(16-10-21-22(3)12-16)6-7-17(18)24(13)14(2)25/h4-10,12-13H,11H2,1-3H3/t13-/m0/s1
InChIKeyZAAQDDYAHFDBQN-ZDUSSCGKSA-N
MW364.41 g/mol
LogP3.08
Rot. Bonds2

About 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone

1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 118079489) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
PubChem CID118079489
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3cnn(C)c3)cc2N(C(=O)c2ccco2)C[C@@H]1C
InChIInChI=1S/C20H20N4O3/c1-13-11-23(20(26)19-5-4-8-27-19)18-9-15(16-10-21-22(3)12-16)6-7-17(18)24(13)14(2)25/h4-10,12-13H,11H2,1-3H3/t13-/m0/s1
InChIKeyZAAQDDYAHFDBQN-ZDUSSCGKSA-N
XLogP3.08
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(tert-butylamino)-2-oxo-1-pyridazin-4-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 51003635
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2367657
6-[1-(2-furoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]quinoxaline
CID 2963406
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 5308216
[4-[3-(4-Fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 16322920
(1,3-dimethyl-1H-pyrazol-5-yl)(5-(furan-2-carbonyl)-5,6-dihydrophenanthridin-6-yl)methanone
CID 44592720
N-[2-(tert-butylamino)-2-oxo-1-(1H-pyrazol-5-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 53297485
5-(3-methylfuran-2-carbonyl)-N-(4-methylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 137634314
1-[5-(3-Methylfuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-2-phenylethanone
CID 137659874
5-(3-methylfuran-2-carbonyl)-N-(3-methylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 137660991
1-[4-(6-Fluoro-3-pyridinyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 166630238
N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 129032630

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone (CID 118079489) is 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone is CC(=O)N1c2ccc(-c3cnn(C)c3)cc2N(C(=O)c2ccco2)C[C@@H]1C.
What is the InChIKey of 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone?
The InChIKey is ZAAQDDYAHFDBQN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-11-23(20(26)19-5-4-8-27-19)18-9-15(16-10-21-22(3)12-16)6-7-17(18)24(13)14(2)25/h4-10,12-13H,11H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone?
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 364.41 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 118079489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).