9-bromo-6-(2-methylpropyl)indolo[3,2-b]quinoxaline;bis(9-bromo-6-prop-2-enylindolo[3,2-b]quinoxaline);bis(6-butylindolo[3,2-b]quinoxaline);2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetic acid;6-prop-2-enylindolo[3,2-b]quinoxaline

C121H97Br3ClN21O2 — CID 158963645

IUPAC9-bromo-6-(2-methylpropyl)indolo[3,2-b]quinoxaline;bis(9-bromo-6-prop-2-enylindolo[3,2-b]quinoxaline);bis(6-butylindolo[3,2-b]quinoxaline);2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetic acid;6-prop-2-enylindolo[3,2-b]quinoxaline
SMILESC=CCn1c2ccc(Br)cc2c2nc3ccccc3nc21.C=CCn1c2ccc(Br)cc2c2nc3ccccc3nc21.C=CCn1c2ccccc2c2nc3ccccc3nc21.CC(C)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21.CCCCn1c2ccccc2c2nc3ccccc3nc21.CCCCn1c2ccccc2c2nc3ccccc3nc21.O=C(O)Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21
InChIInChI=1S/C18H16BrN3.2C18H17N3.2C17H12BrN3.C17H13N3.C16H10ClN3O2/c1-11(2)10-22-16-8-7-12(19)9-13(16)17-18(22)21-15-6-4-3-5-14(15)20-17;2*1-2-3-12-21-16-11-7-4-8-13(16)17-18(21)20-15-10-6-5-9-14(15)19-17;2*1-2-9-21-15-8-7-11(18)10-12(15)16-17(21)20-14-6-4-3-5-13(14)19-16;1-2-11-20-15-10-6-3-7-12(15)16-17(20)19-14-9-5-4-8-13(14)18-16;17-9-5-6-13-10(7-9)15-16(20(13)8-14(21)22)19-12-4-2-1-3-11(12)18-15/h3-9,11H,10H2,1-2H3;2*4-11H,2-3,12H2,1H3;2*2-8,10H,1,9H2;2-10H,1,11H2;1-7H,8H2,(H,21,22)
InChIKeyJMXSNXPIFOKLMQ-UHFFFAOYSA-N
MW2152.42 g/mol
LogP31.00
Rot. Bonds16

About 9-bromo-6-(2-methylpropyl)indolo[3,2-b]quinoxaline;bis(9-bromo-6-prop-2-enylindolo[3,2-b]quinoxaline);bis(6-butylindolo[3,2-b]quinoxaline);2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetic acid;6-prop-2-enylindolo[3,2-b]quinoxaline

9-bromo-6-(2-methylpropyl)indolo[3,2-b]quinoxaline;bis(9-bromo-6-prop-2-enylindolo[3,2-b]quinoxaline);bis(6-butylindolo[3,2-b]quinoxaline);2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetic acid;6-prop-2-enylindolo[3,2-b]quinoxaline (PubChem CID 158963645) has the molecular formula C121H97Br3ClN21O2 and a molecular weight of 2152.42 g/mol. Its IUPAC name is 9-bromo-6-(2-methylpropyl)indolo[3,2-b]quinoxaline;bis(9-bromo-6-prop-2-enylindolo[3,2-b]quinoxaline);bis(6-butylindolo[3,2-b]quinoxaline);2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetic acid;6-prop-2-enylindolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name9-bromo-6-(2-methylpropyl)indolo[3,2-b]quinoxaline;bis(9-bromo-6-prop-2-enylindolo[3,2-b]quinoxaline);bis(6-butylindolo[3,2-b]quinoxaline);2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetic acid;6-prop-2-enylindolo[3,2-b]quinoxaline
PubChem CID158963645
Molecular FormulaC121H97Br3ClN21O2
Molecular Weight2152.42 g/mol
Exact Mass2147.54
IUPAC Name9-bromo-6-(2-methylpropyl)indolo[3,2-b]quinoxaline;bis(9-bromo-6-prop-2-enylindolo[3,2-b]quinoxaline);bis(6-butylindolo[3,2-b]quinoxaline);2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetic acid;6-prop-2-enylindolo[3,2-b]quinoxaline
SMILESC=CCn1c2ccc(Br)cc2c2nc3ccccc3nc21.C=CCn1c2ccc(Br)cc2c2nc3ccccc3nc21.C=CCn1c2ccccc2c2nc3ccccc3nc21.CC(C)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21.CCCCn1c2ccccc2c2nc3ccccc3nc21.CCCCn1c2ccccc2c2nc3ccccc3nc21.O=C(O)Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21
InChIInChI=1S/C18H16BrN3.2C18H17N3.2C17H12BrN3.C17H13N3.C16H10ClN3O2/c1-11(2)10-22-16-8-7-12(19)9-13(16)17-18(22)21-15-6-4-3-5-14(15)20-17;2*1-2-3-12-21-16-11-7-4-8-13(16)17-18(21)20-15-10-6-5-9-14(15)19-17;2*1-2-9-21-15-8-7-11(18)10-12(15)16-17(21)20-14-6-4-3-5-13(14)19-16;1-2-11-20-15-10-6-3-7-12(15)16-17(20)19-14-9-5-4-8-13(14)18-16;17-9-5-6-13-10(7-9)15-16(20(13)8-14(21)22)19-12-4-2-1-3-11(12)18-15/h3-9,11H,10H2,1-2H3;2*4-11H,2-3,12H2,1H3;2*2-8,10H,1,9H2;2-10H,1,11H2;1-7H,8H2,(H,21,22)
InChIKeyJMXSNXPIFOKLMQ-UHFFFAOYSA-N
XLogP31.00
TPSA252.27 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002152.42
LogP ≤ 531.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 9-bromo-6-(2-methylpropyl)indolo[3,2-b]quinoxaline;bis(9-bromo-6-prop-2-enylindolo[3,2-b]quinoxaline);bis(6-butylindolo[3,2-b]quinoxaline);2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetic acid;6-prop-2-enylindolo[3,2-b]quinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-6-(2-methylpropyl)indolo[3,2-b]quinoxaline;bis(9-bromo-6-prop-2-enylindolo[3,2-b]quinoxaline);bis(6-butylindolo[3,2-b]quinoxaline);2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetic acid;6-prop-2-enylindolo[3,2-b]quinoxaline?
The IUPAC name of 9-bromo-6-(2-methylpropyl)indolo[3,2-b]quinoxaline;bis(9-bromo-6-prop-2-enylindolo[3,2-b]quinoxaline);bis(6-butylindolo[3,2-b]quinoxaline);2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetic acid;6-prop-2-enylindolo[3,2-b]quinoxaline (CID 158963645) is 9-bromo-6-(2-methylpropyl)indolo[3,2-b]quinoxaline;bis(9-bromo-6-prop-2-enylindolo[3,2-b]quinoxaline);bis(6-butylindolo[3,2-b]quinoxaline);2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetic acid;6-prop-2-enylindolo[3,2-b]quinoxaline.
What is the SMILES notation for 9-bromo-6-(2-methylpropyl)indolo[3,2-b]quinoxaline;bis(9-bromo-6-prop-2-enylindolo[3,2-b]quinoxaline);bis(6-butylindolo[3,2-b]quinoxaline);2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetic acid;6-prop-2-enylindolo[3,2-b]quinoxaline?
The canonical SMILES for 9-bromo-6-(2-methylpropyl)indolo[3,2-b]quinoxaline;bis(9-bromo-6-prop-2-enylindolo[3,2-b]quinoxaline);bis(6-butylindolo[3,2-b]quinoxaline);2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetic acid;6-prop-2-enylindolo[3,2-b]quinoxaline is C=CCn1c2ccc(Br)cc2c2nc3ccccc3nc21.C=CCn1c2ccc(Br)cc2c2nc3ccccc3nc21.C=CCn1c2ccccc2c2nc3ccccc3nc21.CC(C)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21.CCCCn1c2ccccc2c2nc3ccccc3nc21.CCCCn1c2ccccc2c2nc3ccccc3nc21.O=C(O)Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21.
What is the InChIKey of 9-bromo-6-(2-methylpropyl)indolo[3,2-b]quinoxaline;bis(9-bromo-6-prop-2-enylindolo[3,2-b]quinoxaline);bis(6-butylindolo[3,2-b]quinoxaline);2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetic acid;6-prop-2-enylindolo[3,2-b]quinoxaline?
The InChIKey is JMXSNXPIFOKLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3.2C18H17N3.2C17H12BrN3.C17H13N3.C16H10ClN3O2/c1-11(2)10-22-16-8-7-12(19)9-13(16)17-18(22)21-15-6-4-3-5-14(15)20-17;2*1-2-3-12-21-16-11-7-4-8-13(16)17-18(21)20-15-10-6-5-9-14(15)19-17;2*1-2-9-21-15-8-7-11(18)10-12(15)16-17(21)20-14-6-4-3-5-13(14)19-16;1-2-11-20-15-10-6-3-7-12(15)16-17(20)19-14-9-5-4-8-13(14)18-16;17-9-5-6-13-10(7-9)15-16(20(13)8-14(21)22)19-12-4-2-1-3-11(12)18-15/h3-9,11H,10H2,1-2H3;2*4-11H,2-3,12H2,1H3;2*2-8,10H,1,9H2;2-10H,1,11H2;1-7H,8H2,(H,21,22).
What are the key properties of 9-bromo-6-(2-methylpropyl)indolo[3,2-b]quinoxaline;bis(9-bromo-6-prop-2-enylindolo[3,2-b]quinoxaline);bis(6-butylindolo[3,2-b]quinoxaline);2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetic acid;6-prop-2-enylindolo[3,2-b]quinoxaline?
9-bromo-6-(2-methylpropyl)indolo[3,2-b]quinoxaline;bis(9-bromo-6-prop-2-enylindolo[3,2-b]quinoxaline);bis(6-butylindolo[3,2-b]quinoxaline);2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetic acid;6-prop-2-enylindolo[3,2-b]quinoxaline has a molecular weight of 2152.42 g/mol, XLogP of 31.00, 16 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-6-(2-methylpropyl)indolo[3,2-b]quinoxaline;bis(9-bromo-6-prop-2-enylindolo[3,2-b]quinoxaline);bis(6-butylindolo[3,2-b]quinoxaline);2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetic acid;6-prop-2-enylindolo[3,2-b]quinoxaline is sourced from PubChem (CID 158963645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).