methyl 4-(5-aminopentyl)-2-(1-ethylindol-3-yl)-3-oxoquinoxaline-6-carboxylate

C25H28N4O3 — CID 57141412

IUPACmethyl 4-(5-aminopentyl)-2-(1-ethylindol-3-yl)-3-oxoquinoxaline-6-carboxylate
SMILESCCn1cc(-c2nc3ccc(C(=O)OC)cc3n(CCCCCN)c2=O)c2ccccc21
InChIInChI=1S/C25H28N4O3/c1-3-28-16-19(18-9-5-6-10-21(18)28)23-24(30)29(14-8-4-7-13-26)22-15-17(25(31)32-2)11-12-20(22)27-23/h5-6,9-12,15-16H,3-4,7-8,13-14,26H2,1-2H3
InChIKeyWUIQOAKSUQLSCZ-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.95
Rot. Bonds8

About methyl 4-(5-aminopentyl)-2-(1-ethylindol-3-yl)-3-oxoquinoxaline-6-carboxylate

methyl 4-(5-aminopentyl)-2-(1-ethylindol-3-yl)-3-oxoquinoxaline-6-carboxylate (PubChem CID 57141412) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is methyl 4-(5-aminopentyl)-2-(1-ethylindol-3-yl)-3-oxoquinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-aminopentyl)-2-(1-ethylindol-3-yl)-3-oxoquinoxaline-6-carboxylate
PubChem CID57141412
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Namemethyl 4-(5-aminopentyl)-2-(1-ethylindol-3-yl)-3-oxoquinoxaline-6-carboxylate
SMILESCCn1cc(-c2nc3ccc(C(=O)OC)cc3n(CCCCCN)c2=O)c2ccccc21
InChIInChI=1S/C25H28N4O3/c1-3-28-16-19(18-9-5-6-10-21(18)28)23-24(30)29(14-8-4-7-13-26)22-15-17(25(31)32-2)11-12-20(22)27-23/h5-6,9-12,15-16H,3-4,7-8,13-14,26H2,1-2H3
InChIKeyWUIQOAKSUQLSCZ-UHFFFAOYSA-N
XLogP3.95
TPSA92.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 4-(5-aminopentyl)-2-(1-ethylindol-3-yl)-3-oxoquinoxaline-6-carboxylate with MolForge

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Related Compounds

acetic acid;methyl 1-(3-aminopropyl)-3-(4-methyl-3-oxoquinoxalin-2-yl)indole-5-carboxylate
CID 173278007
methyl 4-(2-amino-4-methylpentyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-3-oxoquinoxaline-6-carboxylate;2,2,2-trifluoroacetic acid
CID 67565178
[1-[3-[4-(5-aminopentyl)-3-oxoquinoxalin-2-yl]indol-1-yl]-2-(diethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate
CID 67610326
methyl 1-(4-aminobutyl)-3-phenylindole-6-carboxylate
CID 69005481
acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-methylquinoxalin-2-one
CID 173277722
methyl 2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-oxo-4-(piperidin-3-ylmethyl)quinoxaline-6-carboxylate;2,2,2-trifluoroacetic acid
CID 67610098
3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one
CID 134852171
[2-[1-(4-aminobutyl)indol-3-yl]-7,8-dimethyl-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate
CID 70154720
3-(3-aminopropyl)-2-methoxycarbonylbenzimidazole-5-carboxylic acid
CID 67236551
[2-[1-(3-aminopropyl)indol-3-yl]-3-oxo-6,7,8,9-tetrahydrobenzo[g]quinoxalin-4-yl] acetate
CID 70156856
methyl 2-amino-3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]benzimidazole-5-carboxylate
CID 166454564
[1-[3-[4-[2-(2-aminoethoxy)ethyl]-6,7-dichloro-3-oxoquinoxalin-2-yl]indol-1-yl]-2-(diethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate
CID 67610149

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-aminopentyl)-2-(1-ethylindol-3-yl)-3-oxoquinoxaline-6-carboxylate?
The IUPAC name of methyl 4-(5-aminopentyl)-2-(1-ethylindol-3-yl)-3-oxoquinoxaline-6-carboxylate (CID 57141412) is methyl 4-(5-aminopentyl)-2-(1-ethylindol-3-yl)-3-oxoquinoxaline-6-carboxylate.
What is the SMILES notation for methyl 4-(5-aminopentyl)-2-(1-ethylindol-3-yl)-3-oxoquinoxaline-6-carboxylate?
The canonical SMILES for methyl 4-(5-aminopentyl)-2-(1-ethylindol-3-yl)-3-oxoquinoxaline-6-carboxylate is CCn1cc(-c2nc3ccc(C(=O)OC)cc3n(CCCCCN)c2=O)c2ccccc21.
What is the InChIKey of methyl 4-(5-aminopentyl)-2-(1-ethylindol-3-yl)-3-oxoquinoxaline-6-carboxylate?
The InChIKey is WUIQOAKSUQLSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-3-28-16-19(18-9-5-6-10-21(18)28)23-24(30)29(14-8-4-7-13-26)22-15-17(25(31)32-2)11-12-20(22)27-23/h5-6,9-12,15-16H,3-4,7-8,13-14,26H2,1-2H3.
What are the key properties of methyl 4-(5-aminopentyl)-2-(1-ethylindol-3-yl)-3-oxoquinoxaline-6-carboxylate?
methyl 4-(5-aminopentyl)-2-(1-ethylindol-3-yl)-3-oxoquinoxaline-6-carboxylate has a molecular weight of 432.52 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-aminopentyl)-2-(1-ethylindol-3-yl)-3-oxoquinoxaline-6-carboxylate is sourced from PubChem (CID 57141412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).