2-amino-1-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

C25H29N7O2 — CID 23905948

IUPAC2-amino-1-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCN(C)c1ccc(-n2c(N)c(C(=O)NCCN3CCOCC3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C25H29N7O2/c1-30(2)17-7-9-18(10-8-17)32-23(26)21(25(33)27-11-12-31-13-15-34-16-14-31)22-24(32)29-20-6-4-3-5-19(20)28-22/h3-10H,11-16,26H2,1-2H3,(H,27,33)
InChIKeyIQKQAAGCOQNCOT-UHFFFAOYSA-N
MW459.55 g/mol
LogP2.28
Rot. Bonds6

About 2-amino-1-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-1-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 23905948) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-amino-1-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID23905948
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name2-amino-1-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCN(C)c1ccc(-n2c(N)c(C(=O)NCCN3CCOCC3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C25H29N7O2/c1-30(2)17-7-9-18(10-8-17)32-23(26)21(25(33)27-11-12-31-13-15-34-16-14-31)22-24(32)29-20-6-4-3-5-19(20)28-22/h3-10H,11-16,26H2,1-2H3,(H,27,33)
InChIKeyIQKQAAGCOQNCOT-UHFFFAOYSA-N
XLogP2.28
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(2-morpholin-4-ylethyl)-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3746635
2-amino-1-(2-morpholin-4-ylethyl)-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23855568
2-amino-1-(4-butan-2-ylphenyl)-N-propylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 16957072
2-amino-N-[2-(4-methoxyphenyl)ethyl]-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23764711
2-amino-1-(4-ethoxyphenyl)-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3560794
N-(2-morpholin-4-ylethyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 20916111
4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38810454
2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 40589200
2-amino-1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6880719
2-N-(2-morpholin-4-ylethyl)-6-N-(2-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109096478
6-N-(2-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096462
2-amino-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 16793479

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 23905948) is 2-amino-1-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is CN(C)c1ccc(-n2c(N)c(C(=O)NCCN3CCOCC3)c3nc4ccccc4nc32)cc1.
What is the InChIKey of 2-amino-1-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is IQKQAAGCOQNCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-30(2)17-7-9-18(10-8-17)32-23(26)21(25(33)27-11-12-31-13-15-34-16-14-31)22-24(32)29-20-6-4-3-5-19(20)28-22/h3-10H,11-16,26H2,1-2H3,(H,27,33).
What are the key properties of 2-amino-1-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 23905948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).