7-fluoro-5-(3-oxo-3-piperidin-1-ylpropyl)pyrrolo[1,2-a]quinoxalin-4-one

C19H20FN3O2 — CID 162504811

IUPAC7-fluoro-5-(3-oxo-3-piperidin-1-ylpropyl)pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=C(CCn1c(=O)c2cccn2c2ccc(F)cc21)N1CCCCC1
InChIInChI=1S/C19H20FN3O2/c20-14-6-7-15-17(13-14)23(19(25)16-5-4-11-22(15)16)12-8-18(24)21-9-2-1-3-10-21/h4-7,11,13H,1-3,8-10,12H2
InChIKeySNEAHJTXDZWRAA-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.80
Rot. Bonds3

About 7-fluoro-5-(3-oxo-3-piperidin-1-ylpropyl)pyrrolo[1,2-a]quinoxalin-4-one

7-fluoro-5-(3-oxo-3-piperidin-1-ylpropyl)pyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 162504811) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 7-fluoro-5-(3-oxo-3-piperidin-1-ylpropyl)pyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-fluoro-5-(3-oxo-3-piperidin-1-ylpropyl)pyrrolo[1,2-a]quinoxalin-4-one
PubChem CID162504811
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name7-fluoro-5-(3-oxo-3-piperidin-1-ylpropyl)pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=C(CCn1c(=O)c2cccn2c2ccc(F)cc21)N1CCCCC1
InChIInChI=1S/C19H20FN3O2/c20-14-6-7-15-17(13-14)23(19(25)16-5-4-11-22(15)16)12-8-18(24)21-9-2-1-3-10-21/h4-7,11,13H,1-3,8-10,12H2
InChIKeySNEAHJTXDZWRAA-UHFFFAOYSA-N
XLogP2.80
TPSA46.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-7-fluoropyrrolo[1,2-a]quinoxalin-4-one
CID 46272884
N-cyclohexyl-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522775
5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-fluoropyrrolo[1,2-a]quinoxalin-4-one
CID 22522746
N-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 92872070
7-bromo-5-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one
CID 50756999
3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(furan-2-ylmethyl)propanamide
CID 46272762
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide
CID 92872084
7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one
CID 163944623
N-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272798
3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-methoxy-3-pyridinyl)propanamide
CID 166897811
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46272890
N-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272806

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(3-oxo-3-piperidin-1-ylpropyl)pyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 7-fluoro-5-(3-oxo-3-piperidin-1-ylpropyl)pyrrolo[1,2-a]quinoxalin-4-one (CID 162504811) is 7-fluoro-5-(3-oxo-3-piperidin-1-ylpropyl)pyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 7-fluoro-5-(3-oxo-3-piperidin-1-ylpropyl)pyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 7-fluoro-5-(3-oxo-3-piperidin-1-ylpropyl)pyrrolo[1,2-a]quinoxalin-4-one is O=C(CCn1c(=O)c2cccn2c2ccc(F)cc21)N1CCCCC1.
What is the InChIKey of 7-fluoro-5-(3-oxo-3-piperidin-1-ylpropyl)pyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is SNEAHJTXDZWRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-14-6-7-15-17(13-14)23(19(25)16-5-4-11-22(15)16)12-8-18(24)21-9-2-1-3-10-21/h4-7,11,13H,1-3,8-10,12H2.
What are the key properties of 7-fluoro-5-(3-oxo-3-piperidin-1-ylpropyl)pyrrolo[1,2-a]quinoxalin-4-one?
7-fluoro-5-(3-oxo-3-piperidin-1-ylpropyl)pyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 341.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(3-oxo-3-piperidin-1-ylpropyl)pyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 162504811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).