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

C20H17FN4O3 — CID 166897811

IUPAC3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-methoxy-3-pyridinyl)propanamide
SMILESCOc1ncccc1NC(=O)CCn1c(=O)c2cccn2c2ccc(F)cc21
InChIInChI=1S/C20H17FN4O3/c1-28-19-14(4-2-9-22-19)23-18(26)8-11-25-17-12-13(21)6-7-15(17)24-10-3-5-16(24)20(25)27/h2-7,9-10,12H,8,11H2,1H3,(H,23,26)
InChIKeyCBLUOKRHAGCDBD-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.83
Rot. Bonds5

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

3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-methoxy-3-pyridinyl)propanamide (PubChem CID 166897811) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-methoxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-methoxy-3-pyridinyl)propanamide
PubChem CID166897811
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-methoxy-3-pyridinyl)propanamide
SMILESCOc1ncccc1NC(=O)CCn1c(=O)c2cccn2c2ccc(F)cc21
InChIInChI=1S/C20H17FN4O3/c1-28-19-14(4-2-9-22-19)23-18(26)8-11-25-17-12-13(21)6-7-15(17)24-10-3-5-16(24)20(25)27/h2-7,9-10,12H,8,11H2,1H3,(H,23,26)
InChIKeyCBLUOKRHAGCDBD-UHFFFAOYSA-N
XLogP2.83
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-methoxy-3-pyridinyl)propanamide?
The IUPAC name of 3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-methoxy-3-pyridinyl)propanamide (CID 166897811) is 3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-methoxy-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-methoxy-3-pyridinyl)propanamide?
The canonical SMILES for 3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-methoxy-3-pyridinyl)propanamide is COc1ncccc1NC(=O)CCn1c(=O)c2cccn2c2ccc(F)cc21.
What is the InChIKey of 3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-methoxy-3-pyridinyl)propanamide?
The InChIKey is CBLUOKRHAGCDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-28-19-14(4-2-9-22-19)23-18(26)8-11-25-17-12-13(21)6-7-15(17)24-10-3-5-16(24)20(25)27/h2-7,9-10,12H,8,11H2,1H3,(H,23,26).
What are the key properties of 3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-methoxy-3-pyridinyl)propanamide?
3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-methoxy-3-pyridinyl)propanamide has a molecular weight of 380.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-methoxy-3-pyridinyl)propanamide is sourced from PubChem (CID 166897811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).