6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine

C17H18ClN5O — CID 56952223

IUPAC6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1NCc1cccnc1
InChIInChI=1S/C17H18ClN5O/c1-3-20-16-17(21-10-11-5-4-6-19-9-11)22-13-7-12(18)15(24-2)8-14(13)23-16/h4-9H,3,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyHJXPXWDYTARUDZ-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.73
Rot. Bonds6

About 6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine

6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine (PubChem CID 56952223) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine
PubChem CID56952223
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1NCc1cccnc1
InChIInChI=1S/C17H18ClN5O/c1-3-20-16-17(21-10-11-5-4-6-19-9-11)22-13-7-12(18)15(24-2)8-14(13)23-16/h4-9H,3,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyHJXPXWDYTARUDZ-UHFFFAOYSA-N
XLogP3.73
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine?
The IUPAC name of 6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine (CID 56952223) is 6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine is CCNc1nc2cc(OC)c(Cl)cc2nc1NCc1cccnc1.
What is the InChIKey of 6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine?
The InChIKey is HJXPXWDYTARUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-3-20-16-17(21-10-11-5-4-6-19-9-11)22-13-7-12(18)15(24-2)8-14(13)23-16/h4-9H,3,10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine?
6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine has a molecular weight of 343.82 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 56952223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).