3-chloro-N-[2-(dimethylamino)ethyl]-6H-indolo[2,3-b]quinoxaline-1-carboxamide

C19H18ClN5O — CID 10546958

IUPAC3-chloro-N-[2-(dimethylamino)ethyl]-6H-indolo[2,3-b]quinoxaline-1-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Cl)cc2nc3[nH]c4ccccc4c3nc12
InChIInChI=1S/C19H18ClN5O/c1-25(2)8-7-21-19(26)13-9-11(20)10-15-16(13)24-17-12-5-3-4-6-14(12)22-18(17)23-15/h3-6,9-10H,7-8H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyBLWMZZCKQNRHOX-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.21
Rot. Bonds4

About 3-chloro-N-[2-(dimethylamino)ethyl]-6H-indolo[2,3-b]quinoxaline-1-carboxamide

3-chloro-N-[2-(dimethylamino)ethyl]-6H-indolo[2,3-b]quinoxaline-1-carboxamide (PubChem CID 10546958) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)ethyl]-6H-indolo[2,3-b]quinoxaline-1-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)ethyl]-6H-indolo[2,3-b]quinoxaline-1-carboxamide
PubChem CID10546958
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name3-chloro-N-[2-(dimethylamino)ethyl]-6H-indolo[2,3-b]quinoxaline-1-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Cl)cc2nc3[nH]c4ccccc4c3nc12
InChIInChI=1S/C19H18ClN5O/c1-25(2)8-7-21-19(26)13-9-11(20)10-15-16(13)24-17-12-5-3-4-6-14(12)22-18(17)23-15/h3-6,9-10H,7-8H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyBLWMZZCKQNRHOX-UHFFFAOYSA-N
XLogP3.21
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-6H-indolo[2,3-b]quinoxaline-1-carboxamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-6H-indolo[2,3-b]quinoxaline-1-carboxamide (CID 10546958) is 3-chloro-N-[2-(dimethylamino)ethyl]-6H-indolo[2,3-b]quinoxaline-1-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)ethyl]-6H-indolo[2,3-b]quinoxaline-1-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)ethyl]-6H-indolo[2,3-b]quinoxaline-1-carboxamide is CN(C)CCNC(=O)c1cc(Cl)cc2nc3[nH]c4ccccc4c3nc12.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)ethyl]-6H-indolo[2,3-b]quinoxaline-1-carboxamide?
The InChIKey is BLWMZZCKQNRHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-25(2)8-7-21-19(26)13-9-11(20)10-15-16(13)24-17-12-5-3-4-6-14(12)22-18(17)23-15/h3-6,9-10H,7-8H2,1-2H3,(H,21,26)(H,22,23).
What are the key properties of 3-chloro-N-[2-(dimethylamino)ethyl]-6H-indolo[2,3-b]quinoxaline-1-carboxamide?
3-chloro-N-[2-(dimethylamino)ethyl]-6H-indolo[2,3-b]quinoxaline-1-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)ethyl]-6H-indolo[2,3-b]quinoxaline-1-carboxamide is sourced from PubChem (CID 10546958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).