N-(3,4-dimethoxyphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide

C24H25FN4O3 — CID 46357495

IUPACN-(3,4-dimethoxyphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1OC
InChIInChI=1S/C24H25FN4O3/c1-31-20-8-6-17(15-21(20)32-2)26-23(30)28-12-9-24(10-13-28)22-4-3-11-29(22)19-7-5-16(25)14-18(19)27-24/h3-8,11,14-15,27H,9-10,12-13H2,1-2H3,(H,26,30)
InChIKeyKBMQWWWGXGJIMF-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.58
Rot. Bonds3

About N-(3,4-dimethoxyphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide

N-(3,4-dimethoxyphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (PubChem CID 46357495) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
PubChem CID46357495
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-(3,4-dimethoxyphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1OC
InChIInChI=1S/C24H25FN4O3/c1-31-20-8-6-17(15-21(20)32-2)26-23(30)28-12-9-24(10-13-28)22-4-3-11-29(22)19-7-5-16(25)14-18(19)27-24/h3-8,11,14-15,27H,9-10,12-13H2,1-2H3,(H,26,30)
InChIKeyKBMQWWWGXGJIMF-UHFFFAOYSA-N
XLogP4.58
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1'-Benzyl-7-methoxy-4,5-dihydrospiro[pyrrolo(1,2-a)quinoxaline-4,4'-piperidine]
CID 21558498
N-(4-(6,7-dimethoxyquinolin-4-ylamino)-3-fluorophenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 45483404
N-(4-((6,7-dimethoxyquinolin-4-yl)(methyl)amino)-3-fluorophenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 45483425
(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone
CID 53025902
1-(3,4-Dimethoxyphenyl)-1-[(6-fluoro-3-pyridinyl)methyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea
CID 155518173
6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 155562950
6-(6-methoxy-3-pyridinyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 155563289
1-(3,4-Dimethoxyphenyl)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[3-(5-methylimidazol-1-yl)propyl]urea
CID 155565347
N-(3,4-dimethoxyphenyl)-N'-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)urea
CID 16011712
N-(3,4,5-Trimethoxyphenyl)-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-A]quinoxaline]-1-carboxamide
CID 16030501
N-(2-Methoxy-4-nitrophenyl)-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-A]quinoxaline]-1-carboxamide
CID 16030503
4-[(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methyl]benzonitrile
CID 49869459

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (CID 46357495) is N-(3,4-dimethoxyphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is COc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
The InChIKey is KBMQWWWGXGJIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-31-20-8-6-17(15-21(20)32-2)26-23(30)28-12-9-24(10-13-28)22-4-3-11-29(22)19-7-5-16(25)14-18(19)27-24/h3-8,11,14-15,27H,9-10,12-13H2,1-2H3,(H,26,30).
What are the key properties of N-(3,4-dimethoxyphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?
N-(3,4-dimethoxyphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 46357495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).