3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(furan-2-ylmethyl)propanamide

C19H16FN3O3 — CID 46272762

IUPAC3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCn1c(=O)c2cccn2c2ccc(F)cc21)NCc1ccco1
InChIInChI=1S/C19H16FN3O3/c20-13-5-6-15-17(11-13)23(19(25)16-4-1-8-22(15)16)9-7-18(24)21-12-14-3-2-10-26-14/h1-6,8,10-11H,7,9,12H2,(H,21,24)
InChIKeyKOHCHQUMQXWTKV-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.69
Rot. Bonds5

About 3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(furan-2-ylmethyl)propanamide

3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(furan-2-ylmethyl)propanamide (PubChem CID 46272762) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(furan-2-ylmethyl)propanamide
PubChem CID46272762
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCn1c(=O)c2cccn2c2ccc(F)cc21)NCc1ccco1
InChIInChI=1S/C19H16FN3O3/c20-13-5-6-15-17(11-13)23(19(25)16-4-1-8-22(15)16)9-7-18(24)21-12-14-3-2-10-26-14/h1-6,8,10-11H,7,9,12H2,(H,21,24)
InChIKeyKOHCHQUMQXWTKV-UHFFFAOYSA-N
XLogP2.69
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-N-(furan-2-ylmethyl)-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 23770832
3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 46247564
7-fluoro-5-(3-oxo-3-piperidin-1-ylpropyl)pyrrolo[1,2-a]quinoxalin-4-one
CID 162504811
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide
CID 46272869
N-cyclohexyl-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522775
N-(furan-2-ylmethyl)-5-[(3-methylphenyl)methyl]-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 23881223
2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide
CID 22522681
4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]butanamide
CID 92872084
N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794769
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 18119091
7-fluoro-5-[4-(6-methyl-3-pyridinyl)-3-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one
CID 163944623
2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide
CID 51192536

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(furan-2-ylmethyl)propanamide (CID 46272762) is 3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(furan-2-ylmethyl)propanamide is O=C(CCn1c(=O)c2cccn2c2ccc(F)cc21)NCc1ccco1.
What is the InChIKey of 3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is KOHCHQUMQXWTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c20-13-5-6-15-17(11-13)23(19(25)16-4-1-8-22(15)16)9-7-18(24)21-12-14-3-2-10-26-14/h1-6,8,10-11H,7,9,12H2,(H,21,24).
What are the key properties of 3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(furan-2-ylmethyl)propanamide?
3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 353.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 46272762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).