2-amino-1-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

C24H21N5O4 — CID 664162

IUPAC2-amino-1-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOc1ccc(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)c(OC)c1
InChIInChI=1S/C24H21N5O4/c1-31-14-9-10-18(19(12-14)32-2)29-22(25)20(24(30)26-13-15-6-5-11-33-15)21-23(29)28-17-8-4-3-7-16(17)27-21/h3-12H,13,25H2,1-2H3,(H,26,30)
InChIKeyDCQQDGBPVNFMKM-UHFFFAOYSA-N
MW443.46 g/mol
LogP3.70
Rot. Bonds6

About 2-amino-1-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-1-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 664162) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is 2-amino-1-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID664162
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC Name2-amino-1-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOc1ccc(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)c(OC)c1
InChIInChI=1S/C24H21N5O4/c1-31-14-9-10-18(19(12-14)32-2)29-22(25)20(24(30)26-13-15-6-5-11-33-15)21-23(29)28-17-8-4-3-7-16(17)27-21/h3-12H,13,25H2,1-2H3,(H,26,30)
InChIKeyDCQQDGBPVNFMKM-UHFFFAOYSA-N
XLogP3.70
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 664162) is 2-amino-1-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is COc1ccc(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)c(OC)c1.
What is the InChIKey of 2-amino-1-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is DCQQDGBPVNFMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-31-14-9-10-18(19(12-14)32-2)29-22(25)20(24(30)26-13-15-6-5-11-33-15)21-23(29)28-17-8-4-3-7-16(17)27-21/h3-12H,13,25H2,1-2H3,(H,26,30).
What are the key properties of 2-amino-1-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 443.46 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 664162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).