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

C25H29N5O4 — CID 2003925

IUPAC2-amino-1-(3,4-dimethoxyphenyl)-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOc1ccc(-n2c(N)c(C(=O)NCCCOC(C)C)c3nc4ccccc4nc32)cc1OC
InChIInChI=1S/C25H29N5O4/c1-15(2)34-13-7-12-27-25(31)21-22-24(29-18-9-6-5-8-17(18)28-22)30(23(21)26)16-10-11-19(32-3)20(14-16)33-4/h5-6,8-11,14-15H,7,12-13,26H2,1-4H3,(H,27,31)
InChIKeyOJOJCJZFJHQVEM-UHFFFAOYSA-N
MW463.54 g/mol
LogP3.72
Rot. Bonds9

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

2-amino-1-(3,4-dimethoxyphenyl)-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 2003925) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is 2-amino-1-(3,4-dimethoxyphenyl)-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(3,4-dimethoxyphenyl)-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID2003925
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name2-amino-1-(3,4-dimethoxyphenyl)-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOc1ccc(-n2c(N)c(C(=O)NCCCOC(C)C)c3nc4ccccc4nc32)cc1OC
InChIInChI=1S/C25H29N5O4/c1-15(2)34-13-7-12-27-25(31)21-22-24(29-18-9-6-5-8-17(18)28-22)30(23(21)26)16-10-11-19(32-3)20(14-16)33-4/h5-6,8-11,14-15H,7,12-13,26H2,1-4H3,(H,27,31)
InChIKeyOJOJCJZFJHQVEM-UHFFFAOYSA-N
XLogP3.72
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-1-(3,4-dimethoxyphenyl)-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[4-[(2R)-butan-2-yl]phenyl]-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2004818
2-amino-1-[(2-methoxyphenyl)methyl]-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2003032
2-amino-N,1-bis(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2037496
2-amino-1-(3-butoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3436686
propyl 4-[2-amino-3-(heptylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate
CID 3796765
2-amino-1-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 135649128
2-amino-1-(3-chloro-4-methylphenyl)-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2038481
2-amino-1-(4-ethoxyphenyl)-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3560794
2-amino-N,1-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 1398575
2-amino-1-(2-methoxy-5-nitrophenyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 1423583
2-amino-1-[(E)-(3-nitrophenyl)methylideneamino]-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6868193
2-amino-1-(4-butan-2-ylphenyl)-N-propylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 16957072

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dimethoxyphenyl)-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-(3,4-dimethoxyphenyl)-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 2003925) is 2-amino-1-(3,4-dimethoxyphenyl)-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-(3,4-dimethoxyphenyl)-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-(3,4-dimethoxyphenyl)-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is COc1ccc(-n2c(N)c(C(=O)NCCCOC(C)C)c3nc4ccccc4nc32)cc1OC.
What is the InChIKey of 2-amino-1-(3,4-dimethoxyphenyl)-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is OJOJCJZFJHQVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-15(2)34-13-7-12-27-25(31)21-22-24(29-18-9-6-5-8-17(18)28-22)30(23(21)26)16-10-11-19(32-3)20(14-16)33-4/h5-6,8-11,14-15H,7,12-13,26H2,1-4H3,(H,27,31).
What are the key properties of 2-amino-1-(3,4-dimethoxyphenyl)-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-(3,4-dimethoxyphenyl)-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dimethoxyphenyl)-N-(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 2003925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).