7-fluoro-5-[4-(5-methoxy-2-pyridinyl)-3-oxobutyl]-2-methylpyrrolo[1,2-a]quinoxalin-4-one

C22H20FN3O3 — CID 163532044

IUPAC7-fluoro-5-[4-(5-methoxy-2-pyridinyl)-3-oxobutyl]-2-methylpyrrolo[1,2-a]quinoxalin-4-one
SMILESCOc1ccc(CC(=O)CCn2c(=O)c3cc(C)cn3c3ccc(F)cc32)nc1
InChIInChI=1S/C22H20FN3O3/c1-14-9-21-22(28)25(20-10-15(23)3-6-19(20)26(21)13-14)8-7-17(27)11-16-4-5-18(29-2)12-24-16/h3-6,9-10,12-13H,7-8,11H2,1-2H3
InChIKeyDTUUYMLGSDMPRR-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.31
Rot. Bonds6

About 7-fluoro-5-[4-(5-methoxy-2-pyridinyl)-3-oxobutyl]-2-methylpyrrolo[1,2-a]quinoxalin-4-one

7-fluoro-5-[4-(5-methoxy-2-pyridinyl)-3-oxobutyl]-2-methylpyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 163532044) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 7-fluoro-5-[4-(5-methoxy-2-pyridinyl)-3-oxobutyl]-2-methylpyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-fluoro-5-[4-(5-methoxy-2-pyridinyl)-3-oxobutyl]-2-methylpyrrolo[1,2-a]quinoxalin-4-one
PubChem CID163532044
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name7-fluoro-5-[4-(5-methoxy-2-pyridinyl)-3-oxobutyl]-2-methylpyrrolo[1,2-a]quinoxalin-4-one
SMILESCOc1ccc(CC(=O)CCn2c(=O)c3cc(C)cn3c3ccc(F)cc32)nc1
InChIInChI=1S/C22H20FN3O3/c1-14-9-21-22(28)25(20-10-15(23)3-6-19(20)26(21)13-14)8-7-17(27)11-16-4-5-18(29-2)12-24-16/h3-6,9-10,12-13H,7-8,11H2,1-2H3
InChIKeyDTUUYMLGSDMPRR-UHFFFAOYSA-N
XLogP3.31
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-5-[4-(5-methoxy-2-pyridinyl)-3-oxobutyl]-2-methylpyrrolo[1,2-a]quinoxalin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one
CID 163944623
3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-methoxy-3-pyridinyl)propanamide
CID 166897811
7-fluoro-5-[4-(4-methoxy-3-pyridinyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one
CID 163686732
N-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272806
6-fluoro-1-methyl-3-[(4-methylphenoxy)methyl]indole
CID 117178524
1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one
CID 115786128
7-fluoro-5-[4-(2-fluorophenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one
CID 163571056
N-[2-(4-ethoxyphenyl)ethyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272868
7-fluoro-5-(3-oxo-3-piperidin-1-ylpropyl)pyrrolo[1,2-a]quinoxalin-4-one
CID 162504811
ethyl 4-[5-[[5-fluoro-2-(6-methoxy-3-pyridinyl)phenyl]methoxy]-2-pyridinyl]butanoate
CID 118326568
3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one
CID 159384472
N-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272798

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-[4-(5-methoxy-2-pyridinyl)-3-oxobutyl]-2-methylpyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 7-fluoro-5-[4-(5-methoxy-2-pyridinyl)-3-oxobutyl]-2-methylpyrrolo[1,2-a]quinoxalin-4-one (CID 163532044) is 7-fluoro-5-[4-(5-methoxy-2-pyridinyl)-3-oxobutyl]-2-methylpyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 7-fluoro-5-[4-(5-methoxy-2-pyridinyl)-3-oxobutyl]-2-methylpyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 7-fluoro-5-[4-(5-methoxy-2-pyridinyl)-3-oxobutyl]-2-methylpyrrolo[1,2-a]quinoxalin-4-one is COc1ccc(CC(=O)CCn2c(=O)c3cc(C)cn3c3ccc(F)cc32)nc1.
What is the InChIKey of 7-fluoro-5-[4-(5-methoxy-2-pyridinyl)-3-oxobutyl]-2-methylpyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is DTUUYMLGSDMPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-14-9-21-22(28)25(20-10-15(23)3-6-19(20)26(21)13-14)8-7-17(27)11-16-4-5-18(29-2)12-24-16/h3-6,9-10,12-13H,7-8,11H2,1-2H3.
What are the key properties of 7-fluoro-5-[4-(5-methoxy-2-pyridinyl)-3-oxobutyl]-2-methylpyrrolo[1,2-a]quinoxalin-4-one?
7-fluoro-5-[4-(5-methoxy-2-pyridinyl)-3-oxobutyl]-2-methylpyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 393.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-[4-(5-methoxy-2-pyridinyl)-3-oxobutyl]-2-methylpyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 163532044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).