N-[2-(dimethylamino)ethyl]-[1]benzothiolo[2,3-b]quinoxaline-10-carboxamide

C19H18N4OS — CID 10689215

IUPACN-[2-(dimethylamino)ethyl]-[1]benzothiolo[2,3-b]quinoxaline-10-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2nc3sc4ccccc4c3nc12
InChIInChI=1S/C19H18N4OS/c1-23(2)11-10-20-18(24)13-7-5-8-14-16(13)22-17-12-6-3-4-9-15(12)25-19(17)21-14/h3-9H,10-11H2,1-2H3,(H,20,24)
InChIKeyQDVCAWUMNCKOGX-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.29
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-[1]benzothiolo[2,3-b]quinoxaline-10-carboxamide

N-[2-(dimethylamino)ethyl]-[1]benzothiolo[2,3-b]quinoxaline-10-carboxamide (PubChem CID 10689215) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-[1]benzothiolo[2,3-b]quinoxaline-10-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-[1]benzothiolo[2,3-b]quinoxaline-10-carboxamide
PubChem CID10689215
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-[2-(dimethylamino)ethyl]-[1]benzothiolo[2,3-b]quinoxaline-10-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2nc3sc4ccccc4c3nc12
InChIInChI=1S/C19H18N4OS/c1-23(2)11-10-20-18(24)13-7-5-8-14-16(13)22-17-12-6-3-4-9-15(12)25-19(17)21-14/h3-9H,10-11H2,1-2H3,(H,20,24)
InChIKeyQDVCAWUMNCKOGX-UHFFFAOYSA-N
XLogP3.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-[1]benzothiolo[2,3-b]quinoxaline-10-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-[1]benzothiolo[2,3-b]quinoxaline-10-carboxamide (CID 10689215) is N-[2-(dimethylamino)ethyl]-[1]benzothiolo[2,3-b]quinoxaline-10-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-[1]benzothiolo[2,3-b]quinoxaline-10-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-[1]benzothiolo[2,3-b]quinoxaline-10-carboxamide is CN(C)CCNC(=O)c1cccc2nc3sc4ccccc4c3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-[1]benzothiolo[2,3-b]quinoxaline-10-carboxamide?
The InChIKey is QDVCAWUMNCKOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-23(2)11-10-20-18(24)13-7-5-8-14-16(13)22-17-12-6-3-4-9-15(12)25-19(17)21-14/h3-9H,10-11H2,1-2H3,(H,20,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-[1]benzothiolo[2,3-b]quinoxaline-10-carboxamide?
N-[2-(dimethylamino)ethyl]-[1]benzothiolo[2,3-b]quinoxaline-10-carboxamide has a molecular weight of 350.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-[1]benzothiolo[2,3-b]quinoxaline-10-carboxamide is sourced from PubChem (CID 10689215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).