propan-2-yl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C19H18N4O3 — CID 660629

IUPACpropan-2-yl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCC(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
InChIInChI=1S/C19H18N4O3/c1-11(2)26-19(24)15-16-18(22-14-8-4-3-7-13(14)21-16)23(17(15)20)10-12-6-5-9-25-12/h3-9,11H,10,20H2,1-2H3
InChIKeyKDCFRQHYLUVKAN-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.37
Rot. Bonds4

About propan-2-yl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

propan-2-yl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 660629) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is propan-2-yl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID660629
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Namepropan-2-yl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCC(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
InChIInChI=1S/C19H18N4O3/c1-11(2)26-19(24)15-16-18(22-14-8-4-3-7-13(14)21-16)23(17(15)20)10-12-6-5-9-25-12/h3-9,11H,10,20H2,1-2H3
InChIKeyKDCFRQHYLUVKAN-UHFFFAOYSA-N
XLogP3.37
TPSA96.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate 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

AC1903
CID 667146
9-(3-aminobenzyl)-6-(2-furyl)-9H-purine-2-amine
CID 9836155
Isopropyl 4-(furan-2-yl)-2-methyl-4,10-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidine-3-carboxylate
CID 17198004
6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799
9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
CID 44401938
2-amino-N-benzyl-6-(furan-2-yl)-9H-purine-9-carboxamide
CID 9949541
2-amino-6-(furan-2-yl)-N-[(4-methylphenyl)methyl]purine-9-carboxamide
CID 10269215
N-{[3-(Aminomethyl)furan-2-yl]methyl}-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53325426
7-[2-(Furan-2-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine
CID 67889361
2-chloro-6-(2-furyl)-9-(4-methoxyphenylmethyl)-9H-purine
CID 5270751
1-(Furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 679754
Barmastine
CID 71300

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of propan-2-yl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 660629) is propan-2-yl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for propan-2-yl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is CC(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12.
What is the InChIKey of propan-2-yl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is KDCFRQHYLUVKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-11(2)26-19(24)15-16-18(22-14-8-4-3-7-13(14)21-16)23(17(15)20)10-12-6-5-9-25-12/h3-9,11H,10,20H2,1-2H3.
What are the key properties of propan-2-yl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
propan-2-yl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 350.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 660629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).