N-(furan-2-ylmethyl)-5-[(3-methylphenyl)methyl]-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide

C25H21N3O3 — CID 23881223

IUPACN-(furan-2-ylmethyl)-5-[(3-methylphenyl)methyl]-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide
SMILESCc1cccc(Cn2c(=O)c3cccn3c3ccc(C(=O)NCc4ccco4)cc32)c1
InChIInChI=1S/C25H21N3O3/c1-17-5-2-6-18(13-17)16-28-23-14-19(24(29)26-15-20-7-4-12-31-20)9-10-21(23)27-11-3-8-22(27)25(28)30/h2-14H,15-16H2,1H3,(H,26,29)
InChIKeyYMTOYGLACDTSGA-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.13
Rot. Bonds5

About N-(furan-2-ylmethyl)-5-[(3-methylphenyl)methyl]-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide

N-(furan-2-ylmethyl)-5-[(3-methylphenyl)methyl]-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide (PubChem CID 23881223) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[(3-methylphenyl)methyl]-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[(3-methylphenyl)methyl]-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide
PubChem CID23881223
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-(furan-2-ylmethyl)-5-[(3-methylphenyl)methyl]-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide
SMILESCc1cccc(Cn2c(=O)c3cccn3c3ccc(C(=O)NCc4ccco4)cc32)c1
InChIInChI=1S/C25H21N3O3/c1-17-5-2-6-18(13-17)16-28-23-14-19(24(29)26-15-20-7-4-12-31-20)9-10-21(23)27-11-3-8-22(27)25(28)30/h2-14H,15-16H2,1H3,(H,26,29)
InChIKeyYMTOYGLACDTSGA-UHFFFAOYSA-N
XLogP4.13
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[(3-methylphenyl)methyl]-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-[(3-methylphenyl)methyl]-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide (CID 23881223) is N-(furan-2-ylmethyl)-5-[(3-methylphenyl)methyl]-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[(3-methylphenyl)methyl]-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[(3-methylphenyl)methyl]-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide is Cc1cccc(Cn2c(=O)c3cccn3c3ccc(C(=O)NCc4ccco4)cc32)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[(3-methylphenyl)methyl]-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide?
The InChIKey is YMTOYGLACDTSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-17-5-2-6-18(13-17)16-28-23-14-19(24(29)26-15-20-7-4-12-31-20)9-10-21(23)27-11-3-8-22(27)25(28)30/h2-14H,15-16H2,1H3,(H,26,29).
What are the key properties of N-(furan-2-ylmethyl)-5-[(3-methylphenyl)methyl]-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide?
N-(furan-2-ylmethyl)-5-[(3-methylphenyl)methyl]-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[(3-methylphenyl)methyl]-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 23881223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).