6-[2-(dimethylamino)ethyl]indolo[3,2-b]quinoxalin-9-ol

C18H18N4O — CID 12043853

IUPAC6-[2-(dimethylamino)ethyl]indolo[3,2-b]quinoxalin-9-ol
SMILESCN(C)CCn1c2ccc(O)cc2c2nc3ccccc3nc21
InChIInChI=1S/C18H18N4O/c1-21(2)9-10-22-16-8-7-12(23)11-13(16)17-18(22)20-15-6-4-3-5-14(15)19-17/h3-8,11,23H,9-10H2,1-2H3
InChIKeyJFSATOSKCGZSAK-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.00
Rot. Bonds3

About 6-[2-(dimethylamino)ethyl]indolo[3,2-b]quinoxalin-9-ol

6-[2-(dimethylamino)ethyl]indolo[3,2-b]quinoxalin-9-ol (PubChem CID 12043853) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl]indolo[3,2-b]quinoxalin-9-ol.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl]indolo[3,2-b]quinoxalin-9-ol
PubChem CID12043853
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name6-[2-(dimethylamino)ethyl]indolo[3,2-b]quinoxalin-9-ol
SMILESCN(C)CCn1c2ccc(O)cc2c2nc3ccccc3nc21
InChIInChI=1S/C18H18N4O/c1-21(2)9-10-22-16-8-7-12(23)11-13(16)17-18(22)20-15-6-4-3-5-14(15)19-17/h3-8,11,23H,9-10H2,1-2H3
InChIKeyJFSATOSKCGZSAK-UHFFFAOYSA-N
XLogP3.00
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl]indolo[3,2-b]quinoxalin-9-ol?
The IUPAC name of 6-[2-(dimethylamino)ethyl]indolo[3,2-b]quinoxalin-9-ol (CID 12043853) is 6-[2-(dimethylamino)ethyl]indolo[3,2-b]quinoxalin-9-ol.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl]indolo[3,2-b]quinoxalin-9-ol?
The canonical SMILES for 6-[2-(dimethylamino)ethyl]indolo[3,2-b]quinoxalin-9-ol is CN(C)CCn1c2ccc(O)cc2c2nc3ccccc3nc21.
What is the InChIKey of 6-[2-(dimethylamino)ethyl]indolo[3,2-b]quinoxalin-9-ol?
The InChIKey is JFSATOSKCGZSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-21(2)9-10-22-16-8-7-12(23)11-13(16)17-18(22)20-15-6-4-3-5-14(15)19-17/h3-8,11,23H,9-10H2,1-2H3.
What are the key properties of 6-[2-(dimethylamino)ethyl]indolo[3,2-b]quinoxalin-9-ol?
6-[2-(dimethylamino)ethyl]indolo[3,2-b]quinoxalin-9-ol has a molecular weight of 306.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl]indolo[3,2-b]quinoxalin-9-ol is sourced from PubChem (CID 12043853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).