1-methoxypropan-2-yl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C19H24N4O4 — CID 660685

IUPAC1-methoxypropan-2-yl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOCCCn1c(N)c(C(=O)OC(C)COC)c2nc3ccccc3nc21
InChIInChI=1S/C19H24N4O4/c1-12(11-26-3)27-19(24)15-16-18(23(17(15)20)9-6-10-25-2)22-14-8-5-4-7-13(14)21-16/h4-5,7-8,12H,6,9-11,20H2,1-3H3
InChIKeyCBAORSDJTYTFGR-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.39
Rot. Bonds8

About 1-methoxypropan-2-yl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

1-methoxypropan-2-yl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 660685) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID660685
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name1-methoxypropan-2-yl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOCCCn1c(N)c(C(=O)OC(C)COC)c2nc3ccccc3nc21
InChIInChI=1S/C19H24N4O4/c1-12(11-26-3)27-19(24)15-16-18(23(17(15)20)9-6-10-25-2)22-14-8-5-4-7-13(14)21-16/h4-5,7-8,12H,6,9-11,20H2,1-3H3
InChIKeyCBAORSDJTYTFGR-UHFFFAOYSA-N
XLogP2.39
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-methoxypropan-2-yl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate with MolForge

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Related Compounds

SIRT1 Activator 3
CID 1882365
ethyl 2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
CID 987485
2-amino-N-butan-2-yl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 662388
ethyl 2-amino-1-benzyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
CID 705218
ethyl 2-amino-1-(4-ethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
CID 987449
2-Amino-1-[2-(4-morpholinyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester
CID 1900690
2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 663108
Ethyl 2-(benzenesulfonamido)-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2334194
methyl 2-amino-1-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
CID 705178
Sklb-11A
CID 987502
2-methoxyethyl 2-amino-1-(4-methoxybenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
CID 660363
2-Methoxyethyl 2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 660498

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of 1-methoxypropan-2-yl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 660685) is 1-methoxypropan-2-yl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for 1-methoxypropan-2-yl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for 1-methoxypropan-2-yl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is COCCCn1c(N)c(C(=O)OC(C)COC)c2nc3ccccc3nc21.
What is the InChIKey of 1-methoxypropan-2-yl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is CBAORSDJTYTFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-12(11-26-3)27-19(24)15-16-18(23(17(15)20)9-6-10-25-2)22-14-8-5-4-7-13(14)21-16/h4-5,7-8,12H,6,9-11,20H2,1-3H3.
What are the key properties of 1-methoxypropan-2-yl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
1-methoxypropan-2-yl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 372.43 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 660685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).