[3-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]indol-3-yl]-2-oxo-7-phenylquinoxalin-1-yl] acetate

C31H25N5O3 — CID 67610227

IUPAC[3-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]indol-3-yl]-2-oxo-7-phenylquinoxalin-1-yl] acetate
SMILESCC(=O)On1c(=O)c(-c2cn(Cc3cccc(CN)n3)c3ccccc23)nc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C31H25N5O3/c1-20(37)39-36-29-16-22(21-8-3-2-4-9-21)14-15-27(29)34-30(31(36)38)26-19-35(28-13-6-5-12-25(26)28)18-24-11-7-10-23(17-32)33-24/h2-16,19H,17-18,32H2,1H3
InChIKeyYJJMXBTWOKWDHH-UHFFFAOYSA-N
MW515.57 g/mol
LogP4.56
Rot. Bonds6

About [3-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]indol-3-yl]-2-oxo-7-phenylquinoxalin-1-yl] acetate

[3-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]indol-3-yl]-2-oxo-7-phenylquinoxalin-1-yl] acetate (PubChem CID 67610227) has the molecular formula C31H25N5O3 and a molecular weight of 515.57 g/mol. Its IUPAC name is [3-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]indol-3-yl]-2-oxo-7-phenylquinoxalin-1-yl] acetate.

Molecular Properties

Compound Name[3-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]indol-3-yl]-2-oxo-7-phenylquinoxalin-1-yl] acetate
PubChem CID67610227
Molecular FormulaC31H25N5O3
Molecular Weight515.57 g/mol
Exact Mass515.20
IUPAC Name[3-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]indol-3-yl]-2-oxo-7-phenylquinoxalin-1-yl] acetate
SMILESCC(=O)On1c(=O)c(-c2cn(Cc3cccc(CN)n3)c3ccccc23)nc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C31H25N5O3/c1-20(37)39-36-29-16-22(21-8-3-2-4-9-21)14-15-27(29)34-30(31(36)38)26-19-35(28-13-6-5-12-25(26)28)18-24-11-7-10-23(17-32)33-24/h2-16,19H,17-18,32H2,1H3
InChIKeyYJJMXBTWOKWDHH-UHFFFAOYSA-N
XLogP4.56
TPSA105.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.57
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [3-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]indol-3-yl]-2-oxo-7-phenylquinoxalin-1-yl] acetate with MolForge

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Related Compounds

[2-[1-[[4-(aminomethyl)phenyl]methyl]indol-3-yl]-3-oxobenzo[g]quinoxalin-4-yl] acetate
CID 70154537
[2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate
CID 70157404
[2-[1-(4-aminobutyl)indol-3-yl]-7,8-dimethyl-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate
CID 70154720
[3-[1-(4-aminobutyl)-2-benzylindol-3-yl]-2-oxo-7-phenylquinoxalin-1-yl] acetate
CID 67610228
[2-[1-(3-aminopropyl)indol-3-yl]-3-oxo-6,7,8,9-tetrahydrobenzo[g]quinoxalin-4-yl] acetate
CID 70156856
acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-methylquinoxalin-2-one
CID 173277722
[3-[1-(3-aminopropyl)-5-phenylmethoxyindol-3-yl]-2-oxo-5-phenylquinoxalin-1-yl] acetate
CID 67610267
[3-[1-(3-aminopropyl)-7-ethylindol-3-yl]-6,7-dichloro-2-oxoquinoxalin-1-yl] acetate
CID 67565740
[2-[1-(3-aminopropyl)-7-ethylindol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate
CID 70154968
acetic acid;3-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-1H-benzo[g]quinoxalin-2-one
CID 18418948
[2-[1-(3-aminopropyl)-5-(dibenzylamino)indol-3-yl]-7,8-dimethyl-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate
CID 70155318
acetic acid;methyl 1-(3-aminopropyl)-3-(4-methyl-3-oxoquinoxalin-2-yl)indole-5-carboxylate
CID 173278007

Frequently Asked Questions

What is the IUPAC name of [3-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]indol-3-yl]-2-oxo-7-phenylquinoxalin-1-yl] acetate?
The IUPAC name of [3-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]indol-3-yl]-2-oxo-7-phenylquinoxalin-1-yl] acetate (CID 67610227) is [3-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]indol-3-yl]-2-oxo-7-phenylquinoxalin-1-yl] acetate.
What is the SMILES notation for [3-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]indol-3-yl]-2-oxo-7-phenylquinoxalin-1-yl] acetate?
The canonical SMILES for [3-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]indol-3-yl]-2-oxo-7-phenylquinoxalin-1-yl] acetate is CC(=O)On1c(=O)c(-c2cn(Cc3cccc(CN)n3)c3ccccc23)nc2ccc(-c3ccccc3)cc21.
What is the InChIKey of [3-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]indol-3-yl]-2-oxo-7-phenylquinoxalin-1-yl] acetate?
The InChIKey is YJJMXBTWOKWDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N5O3/c1-20(37)39-36-29-16-22(21-8-3-2-4-9-21)14-15-27(29)34-30(31(36)38)26-19-35(28-13-6-5-12-25(26)28)18-24-11-7-10-23(17-32)33-24/h2-16,19H,17-18,32H2,1H3.
What are the key properties of [3-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]indol-3-yl]-2-oxo-7-phenylquinoxalin-1-yl] acetate?
[3-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]indol-3-yl]-2-oxo-7-phenylquinoxalin-1-yl] acetate has a molecular weight of 515.57 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]indol-3-yl]-2-oxo-7-phenylquinoxalin-1-yl] acetate is sourced from PubChem (CID 67610227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).