7-fluoro-N-propan-2-ylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide

C19H23FN4O — CID 46357529

IUPAC7-fluoro-N-propan-2-ylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
SMILESCC(C)NC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
InChIInChI=1S/C19H23FN4O/c1-13(2)21-18(25)23-10-7-19(8-11-23)17-4-3-9-24(17)16-6-5-14(20)12-15(16)22-19/h3-6,9,12-13,22H,7-8,10-11H2,1-2H3,(H,21,25)
InChIKeyRKPRGYMXDCJHJE-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.45
Rot. Bonds1

About 7-fluoro-N-propan-2-ylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide

7-fluoro-N-propan-2-ylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (PubChem CID 46357529) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 7-fluoro-N-propan-2-ylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-propan-2-ylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
PubChem CID46357529
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name7-fluoro-N-propan-2-ylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
SMILESCC(C)NC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12
InChIInChI=1S/C19H23FN4O/c1-13(2)21-18(25)23-10-7-19(8-11-23)17-4-3-9-24(17)16-6-5-14(20)12-15(16)22-19/h3-6,9,12-13,22H,7-8,10-11H2,1-2H3,(H,21,25)
InChIKeyRKPRGYMXDCJHJE-UHFFFAOYSA-N
XLogP3.45
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

((R)-8-(4-(trifluoromethyl)phenyl)-N-((S)-1,1,1-trifluoropropan-2-yl)-5,6-dihydro-1,7-naphthyridine-
CID 90655362
5-(4-((5-(4-fluorophenyl)pyridin-3-yl)methyl)piperazin-1-yl)-1H-benzo[d]imidazol-2(3H)-one (6d)
CID 131635614
N-ethyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 10735588
N-tert-butyl-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 10832597
1-(6-(4-Fluorophenyl)pyridin-3-yl)-3-(4-piperidin-1-ylbutyl)urea
CID 44240743
1-(6-(2-Fluorophenyl)pyridin-3-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 44611748
1-(1-((1-(pyridin-4-ylmethyl)piperidin-4-yl)methyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 49864796
1-(1-(4-(pyridin-4-ylmethyl)piperazine-1-carbonyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 49864864
1-[(5-Fluoro-2-pyridinyl)methyl]-3-[[4-(3-methylbutyl)phenyl]methyl]-1-(1-methylpiperidin-4-yl)urea
CID 168271915
1-[(5-Fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropyl)phenyl]methyl]urea
CID 168296588
N-(tert-butyl)-1-(2-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
CID 5064844
(3,5-dimethylpiperazin-1-yl)-[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
CID 10574287

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-propan-2-ylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The IUPAC name of 7-fluoro-N-propan-2-ylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (CID 46357529) is 7-fluoro-N-propan-2-ylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 7-fluoro-N-propan-2-ylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 7-fluoro-N-propan-2-ylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is CC(C)NC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12.
What is the InChIKey of 7-fluoro-N-propan-2-ylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The InChIKey is RKPRGYMXDCJHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-13(2)21-18(25)23-10-7-19(8-11-23)17-4-3-9-24(17)16-6-5-14(20)12-15(16)22-19/h3-6,9,12-13,22H,7-8,10-11H2,1-2H3,(H,21,25).
What are the key properties of 7-fluoro-N-propan-2-ylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
7-fluoro-N-propan-2-ylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-propan-2-ylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 46357529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).