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

C19H20FN3O — CID 20940348

IUPACN-(3-fluoro-4-methylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
SMILESCc1ccc(NC(=O)N2CC3CCCN3c3ccccc32)cc1F
InChIInChI=1S/C19H20FN3O/c1-13-8-9-14(11-16(13)20)21-19(24)23-12-15-5-4-10-22(15)17-6-2-3-7-18(17)23/h2-3,6-9,11,15H,4-5,10,12H2,1H3,(H,21,24)
InChIKeyYVBWLJCCMCMPOJ-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.16
Rot. Bonds1

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

N-(3-fluoro-4-methylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide (PubChem CID 20940348) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
PubChem CID20940348
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC NameN-(3-fluoro-4-methylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
SMILESCc1ccc(NC(=O)N2CC3CCCN3c3ccccc32)cc1F
InChIInChI=1S/C19H20FN3O/c1-13-8-9-14(11-16(13)20)21-19(24)23-12-15-5-4-10-22(15)17-6-2-3-7-18(17)23/h2-3,6-9,11,15H,4-5,10,12H2,1H3,(H,21,24)
InChIKeyYVBWLJCCMCMPOJ-UHFFFAOYSA-N
XLogP4.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide (CID 20940348) is N-(3-fluoro-4-methylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide is Cc1ccc(NC(=O)N2CC3CCCN3c3ccccc32)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?
The InChIKey is YVBWLJCCMCMPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-13-8-9-14(11-16(13)20)21-19(24)23-12-15-5-4-10-22(15)17-6-2-3-7-18(17)23/h2-3,6-9,11,15H,4-5,10,12H2,1H3,(H,21,24).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?
N-(3-fluoro-4-methylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide is sourced from PubChem (CID 20940348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).