5'-ethyl-N-(3-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide

C25H27FN4O — CID 22580689

IUPAC5'-ethyl-N-(3-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide
SMILESCCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1cccc(F)c1)CC2
InChIInChI=1S/C25H27FN4O/c1-3-30-22-16-18(2)9-10-21(22)29-13-5-8-23(29)25(30)11-14-28(15-12-25)24(31)27-20-7-4-6-19(26)17-20/h4-10,13,16-17H,3,11-12,14-15H2,1-2H3,(H,27,31)
InChIKeyJIHOMCZQEQHXLL-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.29
Rot. Bonds2

About 5'-ethyl-N-(3-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide

5'-ethyl-N-(3-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide (PubChem CID 22580689) has the molecular formula C25H27FN4O and a molecular weight of 418.52 g/mol. Its IUPAC name is 5'-ethyl-N-(3-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide.

Molecular Properties

Compound Name5'-ethyl-N-(3-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide
PubChem CID22580689
Molecular FormulaC25H27FN4O
Molecular Weight418.52 g/mol
Exact Mass418.22
IUPAC Name5'-ethyl-N-(3-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide
SMILESCCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1cccc(F)c1)CC2
InChIInChI=1S/C25H27FN4O/c1-3-30-22-16-18(2)9-10-21(22)29-13-5-8-23(29)25(30)11-14-28(15-12-25)24(31)27-20-7-4-6-19(26)17-20/h4-10,13,16-17H,3,11-12,14-15H2,1-2H3,(H,27,31)
InChIKeyJIHOMCZQEQHXLL-UHFFFAOYSA-N
XLogP5.29
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
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Frequently Asked Questions

What is the IUPAC name of 5'-ethyl-N-(3-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide?
The IUPAC name of 5'-ethyl-N-(3-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide (CID 22580689) is 5'-ethyl-N-(3-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide.
What is the SMILES notation for 5'-ethyl-N-(3-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide?
The canonical SMILES for 5'-ethyl-N-(3-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide is CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1cccc(F)c1)CC2.
What is the InChIKey of 5'-ethyl-N-(3-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide?
The InChIKey is JIHOMCZQEQHXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O/c1-3-30-22-16-18(2)9-10-21(22)29-13-5-8-23(29)25(30)11-14-28(15-12-25)24(31)27-20-7-4-6-19(26)17-20/h4-10,13,16-17H,3,11-12,14-15H2,1-2H3,(H,27,31).
What are the key properties of 5'-ethyl-N-(3-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide?
5'-ethyl-N-(3-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-ethyl-N-(3-fluorophenyl)-7'-methylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-1-carboxamide is sourced from PubChem (CID 22580689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).