N-cyclopentyl-5-ethyl-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide

C19H23N3O3 — CID 53159207

IUPACN-cyclopentyl-5-ethyl-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
SMILESCCN1C(=O)C2CCC(=O)N2c2ccc(C(=O)NC3CCCC3)cc21
InChIInChI=1S/C19H23N3O3/c1-2-21-16-11-12(18(24)20-13-5-3-4-6-13)7-8-14(16)22-15(19(21)25)9-10-17(22)23/h7-8,11,13,15H,2-6,9-10H2,1H3,(H,20,24)
InChIKeyLJGFGXTUNJRJPM-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.22
Rot. Bonds3

About N-cyclopentyl-5-ethyl-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide

N-cyclopentyl-5-ethyl-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide (PubChem CID 53159207) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-cyclopentyl-5-ethyl-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-ethyl-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
PubChem CID53159207
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-cyclopentyl-5-ethyl-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
SMILESCCN1C(=O)C2CCC(=O)N2c2ccc(C(=O)NC3CCCC3)cc21
InChIInChI=1S/C19H23N3O3/c1-2-21-16-11-12(18(24)20-13-5-3-4-6-13)7-8-14(16)22-15(19(21)25)9-10-17(22)23/h7-8,11,13,15H,2-6,9-10H2,1H3,(H,20,24)
InChIKeyLJGFGXTUNJRJPM-UHFFFAOYSA-N
XLogP2.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-(furan-2-ylmethyl)-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 53159210
(3aR)-N-(4-methoxyphenyl)-1,4-dioxo-5-propyl-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 95099369
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxo-5-propyl-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 53159225
N-cyclohexyl-1-propanoyl-2,3-dihydroindole-6-carboxamide
CID 53014606
N-cycloheptyl-1-methyl-2-oxo-3H-indole-5-carboxamide
CID 52986175
N-benzyl-5-ethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 46344036
N-cyclopentyl-4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 5064081
4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4090601
N-cyclooctyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4156781
N-cyclohexyl-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4168928
N-cyclopentyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 6460881
N-cyclooctyl-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023877

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-ethyl-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
The IUPAC name of N-cyclopentyl-5-ethyl-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide (CID 53159207) is N-cyclopentyl-5-ethyl-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-ethyl-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
The canonical SMILES for N-cyclopentyl-5-ethyl-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide is CCN1C(=O)C2CCC(=O)N2c2ccc(C(=O)NC3CCCC3)cc21.
What is the InChIKey of N-cyclopentyl-5-ethyl-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
The InChIKey is LJGFGXTUNJRJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-21-16-11-12(18(24)20-13-5-3-4-6-13)7-8-14(16)22-15(19(21)25)9-10-17(22)23/h7-8,11,13,15H,2-6,9-10H2,1H3,(H,20,24).
What are the key properties of N-cyclopentyl-5-ethyl-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
N-cyclopentyl-5-ethyl-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-ethyl-1,4-dioxo-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 53159207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).