8-(1-methylindol-5-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;3-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]benzamide;8-(1-methylindol-6-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]quinoxalin-6-amine

C74H62N18O — CID 122689394

IUPAC8-(1-methylindol-5-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;3-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]benzamide;8-(1-methylindol-6-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]quinoxalin-6-amine
SMILESCC(Nc1cc(-c2ccc3c(ccn3C)c2)c2nccnc2c1)c1cccnc1.Cn1ccc2ccc(-c3cc(NCc4cccc(-c5nn[nH]n5)c4)cc4nccnc34)cc21.Cn1ccc2ccc(-c3cc(NCc4cccc(C(N)=O)c4)cc4nccnc34)cc21
InChIInChI=1S/C25H20N8.C25H21N5O.C24H21N5/c1-33-10-7-17-5-6-18(12-23(17)33)21-13-20(14-22-24(21)27-9-8-26-22)28-15-16-3-2-4-19(11-16)25-29-31-32-30-25;1-30-10-7-17-5-6-18(12-23(17)30)21-13-20(14-22-24(21)28-9-8-27-22)29-15-16-3-2-4-19(11-16)25(26)31;1-16(19-4-3-8-25-15-19)28-20-13-21(24-22(14-20)26-9-10-27-24)17-5-6-23-18(12-17)7-11-29(23)2/h2-14,28H,15H2,1H3,(H,29,30,31,32);2-14,29H,15H2,1H3,(H2,26,31);3-16,28H,1-2H3
InChIKeyVQYUBDDFYZCCBL-UHFFFAOYSA-N
MW1219.43 g/mol
LogP14.44
Rot. Bonds14

About 8-(1-methylindol-5-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;3-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]benzamide;8-(1-methylindol-6-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]quinoxalin-6-amine

8-(1-methylindol-5-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;3-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]benzamide;8-(1-methylindol-6-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]quinoxalin-6-amine (PubChem CID 122689394) has the molecular formula C74H62N18O and a molecular weight of 1219.43 g/mol. Its IUPAC name is 8-(1-methylindol-5-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;3-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]benzamide;8-(1-methylindol-6-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]quinoxalin-6-amine.

Molecular Properties

Compound Name8-(1-methylindol-5-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;3-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]benzamide;8-(1-methylindol-6-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]quinoxalin-6-amine
PubChem CID122689394
Molecular FormulaC74H62N18O
Molecular Weight1219.43 g/mol
Exact Mass1218.54
IUPAC Name8-(1-methylindol-5-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;3-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]benzamide;8-(1-methylindol-6-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]quinoxalin-6-amine
SMILESCC(Nc1cc(-c2ccc3c(ccn3C)c2)c2nccnc2c1)c1cccnc1.Cn1ccc2ccc(-c3cc(NCc4cccc(-c5nn[nH]n5)c4)cc4nccnc34)cc21.Cn1ccc2ccc(-c3cc(NCc4cccc(C(N)=O)c4)cc4nccnc34)cc21
InChIInChI=1S/C25H20N8.C25H21N5O.C24H21N5/c1-33-10-7-17-5-6-18(12-23(17)33)21-13-20(14-22-24(21)27-9-8-26-22)28-15-16-3-2-4-19(11-16)25-29-31-32-30-25;1-30-10-7-17-5-6-18(12-23(17)30)21-13-20(14-22-24(21)28-9-8-27-22)29-15-16-3-2-4-19(11-16)25(26)31;1-16(19-4-3-8-25-15-19)28-20-13-21(24-22(14-20)26-9-10-27-24)17-5-6-23-18(12-17)7-11-29(23)2/h2-14,28H,15H2,1H3,(H,29,30,31,32);2-14,29H,15H2,1H3,(H2,26,31);3-16,28H,1-2H3
InChIKeyVQYUBDDFYZCCBL-UHFFFAOYSA-N
XLogP14.44
TPSA238.66 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001219.43
LogP ≤ 514.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 8-(1-methylindol-5-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;3-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]benzamide;8-(1-methylindol-6-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]quinoxalin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylindol-5-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;3-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]benzamide;8-(1-methylindol-6-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]quinoxalin-6-amine?
The IUPAC name of 8-(1-methylindol-5-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;3-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]benzamide;8-(1-methylindol-6-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]quinoxalin-6-amine (CID 122689394) is 8-(1-methylindol-5-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;3-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]benzamide;8-(1-methylindol-6-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]quinoxalin-6-amine.
What is the SMILES notation for 8-(1-methylindol-5-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;3-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]benzamide;8-(1-methylindol-6-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]quinoxalin-6-amine?
The canonical SMILES for 8-(1-methylindol-5-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;3-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]benzamide;8-(1-methylindol-6-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]quinoxalin-6-amine is CC(Nc1cc(-c2ccc3c(ccn3C)c2)c2nccnc2c1)c1cccnc1.Cn1ccc2ccc(-c3cc(NCc4cccc(-c5nn[nH]n5)c4)cc4nccnc34)cc21.Cn1ccc2ccc(-c3cc(NCc4cccc(C(N)=O)c4)cc4nccnc34)cc21.
What is the InChIKey of 8-(1-methylindol-5-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;3-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]benzamide;8-(1-methylindol-6-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]quinoxalin-6-amine?
The InChIKey is VQYUBDDFYZCCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N8.C25H21N5O.C24H21N5/c1-33-10-7-17-5-6-18(12-23(17)33)21-13-20(14-22-24(21)27-9-8-26-22)28-15-16-3-2-4-19(11-16)25-29-31-32-30-25;1-30-10-7-17-5-6-18(12-23(17)30)21-13-20(14-22-24(21)28-9-8-27-22)29-15-16-3-2-4-19(11-16)25(26)31;1-16(19-4-3-8-25-15-19)28-20-13-21(24-22(14-20)26-9-10-27-24)17-5-6-23-18(12-17)7-11-29(23)2/h2-14,28H,15H2,1H3,(H,29,30,31,32);2-14,29H,15H2,1H3,(H2,26,31);3-16,28H,1-2H3.
What are the key properties of 8-(1-methylindol-5-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;3-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]benzamide;8-(1-methylindol-6-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]quinoxalin-6-amine?
8-(1-methylindol-5-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;3-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]benzamide;8-(1-methylindol-6-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]quinoxalin-6-amine has a molecular weight of 1219.43 g/mol, XLogP of 14.44, 14 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylindol-5-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;3-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]methyl]benzamide;8-(1-methylindol-6-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]quinoxalin-6-amine is sourced from PubChem (CID 122689394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).