6-chloro-N-ethyl-7-methoxy-3-(1-methylindol-5-yl)quinoxalin-2-amine

C20H19ClN4O — CID 56952732

IUPAC6-chloro-N-ethyl-7-methoxy-3-(1-methylindol-5-yl)quinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1ccc2c(ccn2C)c1
InChIInChI=1S/C20H19ClN4O/c1-4-22-20-19(13-5-6-17-12(9-13)7-8-25(17)2)23-15-10-14(21)18(26-3)11-16(15)24-20/h5-11H,4H2,1-3H3,(H,22,24)
InChIKeyLGAORATVXHGMLU-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.88
Rot. Bonds4

About 6-chloro-N-ethyl-7-methoxy-3-(1-methylindol-5-yl)quinoxalin-2-amine

6-chloro-N-ethyl-7-methoxy-3-(1-methylindol-5-yl)quinoxalin-2-amine (PubChem CID 56952732) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 6-chloro-N-ethyl-7-methoxy-3-(1-methylindol-5-yl)quinoxalin-2-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-7-methoxy-3-(1-methylindol-5-yl)quinoxalin-2-amine
PubChem CID56952732
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name6-chloro-N-ethyl-7-methoxy-3-(1-methylindol-5-yl)quinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1ccc2c(ccn2C)c1
InChIInChI=1S/C20H19ClN4O/c1-4-22-20-19(13-5-6-17-12(9-13)7-8-25(17)2)23-15-10-14(21)18(26-3)11-16(15)24-20/h5-11H,4H2,1-3H3,(H,22,24)
InChIKeyLGAORATVXHGMLU-UHFFFAOYSA-N
XLogP4.88
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-7-methoxy-3-(1-methylindol-5-yl)quinoxalin-2-amine?
The IUPAC name of 6-chloro-N-ethyl-7-methoxy-3-(1-methylindol-5-yl)quinoxalin-2-amine (CID 56952732) is 6-chloro-N-ethyl-7-methoxy-3-(1-methylindol-5-yl)quinoxalin-2-amine.
What is the SMILES notation for 6-chloro-N-ethyl-7-methoxy-3-(1-methylindol-5-yl)quinoxalin-2-amine?
The canonical SMILES for 6-chloro-N-ethyl-7-methoxy-3-(1-methylindol-5-yl)quinoxalin-2-amine is CCNc1nc2cc(OC)c(Cl)cc2nc1-c1ccc2c(ccn2C)c1.
What is the InChIKey of 6-chloro-N-ethyl-7-methoxy-3-(1-methylindol-5-yl)quinoxalin-2-amine?
The InChIKey is LGAORATVXHGMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-4-22-20-19(13-5-6-17-12(9-13)7-8-25(17)2)23-15-10-14(21)18(26-3)11-16(15)24-20/h5-11H,4H2,1-3H3,(H,22,24).
What are the key properties of 6-chloro-N-ethyl-7-methoxy-3-(1-methylindol-5-yl)quinoxalin-2-amine?
6-chloro-N-ethyl-7-methoxy-3-(1-methylindol-5-yl)quinoxalin-2-amine has a molecular weight of 366.85 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-7-methoxy-3-(1-methylindol-5-yl)quinoxalin-2-amine is sourced from PubChem (CID 56952732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).