4-[3-[2-methyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl]morpholine

C26H28N6O — CID 130289500

IUPAC4-[3-[2-methyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl]morpholine
SMILESCc1c(-c2nc3ccccc3n2C)c2nc3ccccc3nc2n1CCCN1CCOCC1
InChIInChI=1S/C26H28N6O/c1-18-23(25-29-21-10-5-6-11-22(21)30(25)2)24-26(28-20-9-4-3-8-19(20)27-24)32(18)13-7-12-31-14-16-33-17-15-31/h3-6,8-11H,7,12-17H2,1-2H3
InChIKeyJXHWJXDNMFSABD-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.17
Rot. Bonds5

About 4-[3-[2-methyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl]morpholine

4-[3-[2-methyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl]morpholine (PubChem CID 130289500) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 4-[3-[2-methyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-methyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl]morpholine
PubChem CID130289500
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name4-[3-[2-methyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl]morpholine
SMILESCc1c(-c2nc3ccccc3n2C)c2nc3ccccc3nc2n1CCCN1CCOCC1
InChIInChI=1S/C26H28N6O/c1-18-23(25-29-21-10-5-6-11-22(21)30(25)2)24-26(28-20-9-4-3-8-19(20)27-24)32(18)13-7-12-31-14-16-33-17-15-31/h3-6,8-11H,7,12-17H2,1-2H3
InChIKeyJXHWJXDNMFSABD-UHFFFAOYSA-N
XLogP4.17
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine
CID 43348277
1-benzyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
CID 14117384
4-[(2-methylbenzimidazol-1-yl)methyl]morpholine
CID 3600029
9-methyl-6-(3-pyrrolidin-1-ylpropyl)indolo[3,2-b]quinoxaline
CID 151662365
1-[2-(2-fluorophenyl)ethyl]-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
CID 4907255
1-methoxypropan-2-yl 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 4029243
[(2R)-1-methoxypropan-2-yl] 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 7707255
2-amino-N-[2-(4-methoxyphenyl)ethyl]-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23764711
2-amino-1-(2-morpholin-4-ylethyl)-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23855568
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
2-amino-1-(2-morpholin-4-ylethyl)-N-pentylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3746635
[8-methyl-5-(3-morpholin-4-ylpropyl)-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-3-yl] acetate
CID 4017148

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-methyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[2-methyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl]morpholine (CID 130289500) is 4-[3-[2-methyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-methyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-methyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl]morpholine is Cc1c(-c2nc3ccccc3n2C)c2nc3ccccc3nc2n1CCCN1CCOCC1.
What is the InChIKey of 4-[3-[2-methyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl]morpholine?
The InChIKey is JXHWJXDNMFSABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-18-23(25-29-21-10-5-6-11-22(21)30(25)2)24-26(28-20-9-4-3-8-19(20)27-24)32(18)13-7-12-31-14-16-33-17-15-31/h3-6,8-11H,7,12-17H2,1-2H3.
What are the key properties of 4-[3-[2-methyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl]morpholine?
4-[3-[2-methyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl]morpholine has a molecular weight of 440.55 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-methyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl]morpholine is sourced from PubChem (CID 130289500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).