4-(7-fluoro-4-hydroxy-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)butanamide

C21H21FN4O2 — CID 166885843

IUPAC4-(7-fluoro-4-hydroxy-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCN1c2cc(F)ccc2-n2cccc2C1O)NCc1cccnc1
InChIInChI=1S/C21H21FN4O2/c22-16-7-8-17-19(12-16)26(21(28)18-5-2-10-25(17)18)11-3-6-20(27)24-14-15-4-1-9-23-13-15/h1-2,4-5,7-10,12-13,21,28H,3,6,11,14H2,(H,24,27)
InChIKeyVRYGBPNNHFQDSC-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.92
Rot. Bonds6

About 4-(7-fluoro-4-hydroxy-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)butanamide

4-(7-fluoro-4-hydroxy-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 166885843) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 4-(7-fluoro-4-hydroxy-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(7-fluoro-4-hydroxy-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)butanamide
PubChem CID166885843
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name4-(7-fluoro-4-hydroxy-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCN1c2cc(F)ccc2-n2cccc2C1O)NCc1cccnc1
InChIInChI=1S/C21H21FN4O2/c22-16-7-8-17-19(12-16)26(21(28)18-5-2-10-25(17)18)11-3-6-20(27)24-14-15-4-1-9-23-13-15/h1-2,4-5,7-10,12-13,21,28H,3,6,11,14H2,(H,24,27)
InChIKeyVRYGBPNNHFQDSC-UHFFFAOYSA-N
XLogP2.92
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-4-hydroxy-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-(7-fluoro-4-hydroxy-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)butanamide (CID 166885843) is 4-(7-fluoro-4-hydroxy-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(7-fluoro-4-hydroxy-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-(7-fluoro-4-hydroxy-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)butanamide is O=C(CCCN1c2cc(F)ccc2-n2cccc2C1O)NCc1cccnc1.
What is the InChIKey of 4-(7-fluoro-4-hydroxy-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is VRYGBPNNHFQDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-16-7-8-17-19(12-16)26(21(28)18-5-2-10-25(17)18)11-3-6-20(27)24-14-15-4-1-9-23-13-15/h1-2,4-5,7-10,12-13,21,28H,3,6,11,14H2,(H,24,27).
What are the key properties of 4-(7-fluoro-4-hydroxy-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)butanamide?
4-(7-fluoro-4-hydroxy-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 380.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-4-hydroxy-4H-pyrrolo[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 166885843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).