1-(2-fluorophenyl)-4-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)pyrrolidin-2-one

C23H22FN5O2 — CID 42892227

IUPAC1-(2-fluorophenyl)-4-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)pyrrolidin-2-one
SMILESCN1CCCN(C(=O)C2CC(=O)N(c3ccccc3F)C2)c2nc3ccccc3nc21
InChIInChI=1S/C23H22FN5O2/c1-27-11-6-12-28(22-21(27)25-17-8-3-4-9-18(17)26-22)23(31)15-13-20(30)29(14-15)19-10-5-2-7-16(19)24/h2-5,7-10,15H,6,11-14H2,1H3
InChIKeyCBGOWIKPVMVDKB-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.99
Rot. Bonds2

About 1-(2-fluorophenyl)-4-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)pyrrolidin-2-one

1-(2-fluorophenyl)-4-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)pyrrolidin-2-one (PubChem CID 42892227) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)pyrrolidin-2-one
PubChem CID42892227
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name1-(2-fluorophenyl)-4-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)pyrrolidin-2-one
SMILESCN1CCCN(C(=O)C2CC(=O)N(c3ccccc3F)C2)c2nc3ccccc3nc21
InChIInChI=1S/C23H22FN5O2/c1-27-11-6-12-28(22-21(27)25-17-8-3-4-9-18(17)26-22)23(31)15-13-20(30)29(14-15)19-10-5-2-7-16(19)24/h2-5,7-10,15H,6,11-14H2,1H3
InChIKeyCBGOWIKPVMVDKB-UHFFFAOYSA-N
XLogP2.99
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-4-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyrrolidin-2-one
CID 24628036
(4S)-1-benzyl-4-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)pyrrolidin-2-one
CID 27674306
[(1S,2R)-2-methylcyclopropyl]-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)methanone
CID 27674184
1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 42650970
methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075738
1-(2-fluorophenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 51175375
1-[3-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 18089869
1-(2-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46663955
(3R)-1-(2-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 29134329
1-(2-fluoro-4-methylphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55604654
(3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25356215
(4R)-1-(2-fluorophenyl)-4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95579142

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-fluorophenyl)-4-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)pyrrolidin-2-one (CID 42892227) is 1-(2-fluorophenyl)-4-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-4-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)pyrrolidin-2-one is CN1CCCN(C(=O)C2CC(=O)N(c3ccccc3F)C2)c2nc3ccccc3nc21.
What is the InChIKey of 1-(2-fluorophenyl)-4-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)pyrrolidin-2-one?
The InChIKey is CBGOWIKPVMVDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-27-11-6-12-28(22-21(27)25-17-8-3-4-9-18(17)26-22)23(31)15-13-20(30)29(14-15)19-10-5-2-7-16(19)24/h2-5,7-10,15H,6,11-14H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-4-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)pyrrolidin-2-one?
1-(2-fluorophenyl)-4-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)pyrrolidin-2-one has a molecular weight of 419.46 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 42892227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).