N-(4-fluorophenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide

C18H18FN3O — CID 20940347

IUPACN-(4-fluorophenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CC2CCCN2c2ccccc21
InChIInChI=1S/C18H18FN3O/c19-13-7-9-14(10-8-13)20-18(23)22-12-15-4-3-11-21(15)16-5-1-2-6-17(16)22/h1-2,5-10,15H,3-4,11-12H2,(H,20,23)
InChIKeyQLKWSGLYVGTIPD-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.85
Rot. Bonds1

About N-(4-fluorophenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide

N-(4-fluorophenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide (PubChem CID 20940347) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
PubChem CID20940347
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC NameN-(4-fluorophenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CC2CCCN2c2ccccc21
InChIInChI=1S/C18H18FN3O/c19-13-7-9-14(10-8-13)20-18(23)22-12-15-4-3-11-21(15)16-5-1-2-6-17(16)22/h1-2,5-10,15H,3-4,11-12H2,(H,20,23)
InChIKeyQLKWSGLYVGTIPD-UHFFFAOYSA-N
XLogP3.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aS)-N-(4-methoxyphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
CID 92707590
N-(4-bromo-3-methylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
CID 20940351
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
CID 166188556
(3R)-N-(4-fluorophenyl)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 94782811
N-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-carboxamide
CID 63101168
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943972
N-(4-fluorophenyl)-2-phenylazetidine-1-carboxamide
CID 47034423
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814809
(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
(2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide
CID 90883663
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide (CID 20940347) is N-(4-fluorophenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide is O=C(Nc1ccc(F)cc1)N1CC2CCCN2c2ccccc21.
What is the InChIKey of N-(4-fluorophenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?
The InChIKey is QLKWSGLYVGTIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c19-13-7-9-14(10-8-13)20-18(23)22-12-15-4-3-11-21(15)16-5-1-2-6-17(16)22/h1-2,5-10,15H,3-4,11-12H2,(H,20,23).
What are the key properties of N-(4-fluorophenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?
N-(4-fluorophenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide is sourced from PubChem (CID 20940347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).