2-[6-(10-chloro-1-oxo-3,4-dihydropyrazino[1,2-a]indol-2-yl)indol-1-yl]acetic acid

C21H16ClN3O3 — CID 59473692

IUPAC2-[6-(10-chloro-1-oxo-3,4-dihydropyrazino[1,2-a]indol-2-yl)indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2ccc(N3CCn4c(c(Cl)c5ccccc54)C3=O)cc21
InChIInChI=1S/C21H16ClN3O3/c22-19-15-3-1-2-4-16(15)25-10-9-24(21(28)20(19)25)14-6-5-13-7-8-23(12-18(26)27)17(13)11-14/h1-8,11H,9-10,12H2,(H,26,27)
InChIKeyMZCSYSAHQLYVIV-UHFFFAOYSA-N
MW393.83 g/mol
LogP3.99
Rot. Bonds3

About 2-[6-(10-chloro-1-oxo-3,4-dihydropyrazino[1,2-a]indol-2-yl)indol-1-yl]acetic acid

2-[6-(10-chloro-1-oxo-3,4-dihydropyrazino[1,2-a]indol-2-yl)indol-1-yl]acetic acid (PubChem CID 59473692) has the molecular formula C21H16ClN3O3 and a molecular weight of 393.83 g/mol. Its IUPAC name is 2-[6-(10-chloro-1-oxo-3,4-dihydropyrazino[1,2-a]indol-2-yl)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(10-chloro-1-oxo-3,4-dihydropyrazino[1,2-a]indol-2-yl)indol-1-yl]acetic acid
PubChem CID59473692
Molecular FormulaC21H16ClN3O3
Molecular Weight393.83 g/mol
Exact Mass393.09
IUPAC Name2-[6-(10-chloro-1-oxo-3,4-dihydropyrazino[1,2-a]indol-2-yl)indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2ccc(N3CCn4c(c(Cl)c5ccccc54)C3=O)cc21
InChIInChI=1S/C21H16ClN3O3/c22-19-15-3-1-2-4-16(15)25-10-9-24(21(28)20(19)25)14-6-5-13-7-8-23(12-18(26)27)17(13)11-14/h1-8,11H,9-10,12H2,(H,26,27)
InChIKeyMZCSYSAHQLYVIV-UHFFFAOYSA-N
XLogP3.99
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(10-chloro-1-oxo-3,4-dihydropyrazino[1,2-a]indol-2-yl)indol-1-yl]acetic acid?
The IUPAC name of 2-[6-(10-chloro-1-oxo-3,4-dihydropyrazino[1,2-a]indol-2-yl)indol-1-yl]acetic acid (CID 59473692) is 2-[6-(10-chloro-1-oxo-3,4-dihydropyrazino[1,2-a]indol-2-yl)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[6-(10-chloro-1-oxo-3,4-dihydropyrazino[1,2-a]indol-2-yl)indol-1-yl]acetic acid?
The canonical SMILES for 2-[6-(10-chloro-1-oxo-3,4-dihydropyrazino[1,2-a]indol-2-yl)indol-1-yl]acetic acid is O=C(O)Cn1ccc2ccc(N3CCn4c(c(Cl)c5ccccc54)C3=O)cc21.
What is the InChIKey of 2-[6-(10-chloro-1-oxo-3,4-dihydropyrazino[1,2-a]indol-2-yl)indol-1-yl]acetic acid?
The InChIKey is MZCSYSAHQLYVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3/c22-19-15-3-1-2-4-16(15)25-10-9-24(21(28)20(19)25)14-6-5-13-7-8-23(12-18(26)27)17(13)11-14/h1-8,11H,9-10,12H2,(H,26,27).
What are the key properties of 2-[6-(10-chloro-1-oxo-3,4-dihydropyrazino[1,2-a]indol-2-yl)indol-1-yl]acetic acid?
2-[6-(10-chloro-1-oxo-3,4-dihydropyrazino[1,2-a]indol-2-yl)indol-1-yl]acetic acid has a molecular weight of 393.83 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(10-chloro-1-oxo-3,4-dihydropyrazino[1,2-a]indol-2-yl)indol-1-yl]acetic acid is sourced from PubChem (CID 59473692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).