2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl pyridine-3-carboxylate

C23H18N4O2 — CID 5096689

IUPAC2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl pyridine-3-carboxylate
SMILESCc1cccc2c3nc4ccccc4nc3n(CCOC(=O)c3cccnc3)c12
InChIInChI=1S/C23H18N4O2/c1-15-6-4-8-17-20-22(26-19-10-3-2-9-18(19)25-20)27(21(15)17)12-13-29-23(28)16-7-5-11-24-14-16/h2-11,14H,12-13H2,1H3
InChIKeyCNTUWSWRBWOGIT-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.30
Rot. Bonds4

About 2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl pyridine-3-carboxylate

2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl pyridine-3-carboxylate (PubChem CID 5096689) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl pyridine-3-carboxylate.

Molecular Properties

Compound Name2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl pyridine-3-carboxylate
PubChem CID5096689
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl pyridine-3-carboxylate
SMILESCc1cccc2c3nc4ccccc4nc3n(CCOC(=O)c3cccnc3)c12
InChIInChI=1S/C23H18N4O2/c1-15-6-4-8-17-20-22(26-19-10-3-2-9-18(19)25-20)27(21(15)17)12-13-29-23(28)16-7-5-11-24-14-16/h2-11,14H,12-13H2,1H3
InChIKeyCNTUWSWRBWOGIT-UHFFFAOYSA-N
XLogP4.30
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl pyridine-3-carboxylate?
The IUPAC name of 2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl pyridine-3-carboxylate (CID 5096689) is 2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl pyridine-3-carboxylate.
What is the SMILES notation for 2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl pyridine-3-carboxylate?
The canonical SMILES for 2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl pyridine-3-carboxylate is Cc1cccc2c3nc4ccccc4nc3n(CCOC(=O)c3cccnc3)c12.
What is the InChIKey of 2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl pyridine-3-carboxylate?
The InChIKey is CNTUWSWRBWOGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-15-6-4-8-17-20-22(26-19-10-3-2-9-18(19)25-20)27(21(15)17)12-13-29-23(28)16-7-5-11-24-14-16/h2-11,14H,12-13H2,1H3.
What are the key properties of 2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl pyridine-3-carboxylate?
2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl pyridine-3-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl pyridine-3-carboxylate is sourced from PubChem (CID 5096689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).