8-(5-fluoro-1-methylindol-6-yl)-N-(4-methylsulfinyl-3-pyridinyl)quinoxalin-6-amine

C23H18FN5OS — CID 145185471

IUPAC8-(5-fluoro-1-methylindol-6-yl)-N-(4-methylsulfinyl-3-pyridinyl)quinoxalin-6-amine
SMILESCn1ccc2cc(F)c(-c3cc(Nc4cnccc4S(C)=O)cc4nccnc34)cc21
InChIInChI=1S/C23H18FN5OS/c1-29-8-4-14-9-18(24)16(12-21(14)29)17-10-15(11-19-23(17)27-7-6-26-19)28-20-13-25-5-3-22(20)31(2)30/h3-13,28H,1-2H3
InChIKeyOXNZUFKHEAGFJF-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.80
Rot. Bonds4

About 8-(5-fluoro-1-methylindol-6-yl)-N-(4-methylsulfinyl-3-pyridinyl)quinoxalin-6-amine

8-(5-fluoro-1-methylindol-6-yl)-N-(4-methylsulfinyl-3-pyridinyl)quinoxalin-6-amine (PubChem CID 145185471) has the molecular formula C23H18FN5OS and a molecular weight of 431.50 g/mol. Its IUPAC name is 8-(5-fluoro-1-methylindol-6-yl)-N-(4-methylsulfinyl-3-pyridinyl)quinoxalin-6-amine.

Molecular Properties

Compound Name8-(5-fluoro-1-methylindol-6-yl)-N-(4-methylsulfinyl-3-pyridinyl)quinoxalin-6-amine
PubChem CID145185471
Molecular FormulaC23H18FN5OS
Molecular Weight431.50 g/mol
Exact Mass431.12
IUPAC Name8-(5-fluoro-1-methylindol-6-yl)-N-(4-methylsulfinyl-3-pyridinyl)quinoxalin-6-amine
SMILESCn1ccc2cc(F)c(-c3cc(Nc4cnccc4S(C)=O)cc4nccnc34)cc21
InChIInChI=1S/C23H18FN5OS/c1-29-8-4-14-9-18(24)16(12-21(14)29)17-10-15(11-19-23(17)27-7-6-26-19)28-20-13-25-5-3-22(20)31(2)30/h3-13,28H,1-2H3
InChIKeyOXNZUFKHEAGFJF-UHFFFAOYSA-N
XLogP4.80
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoro-1-methylindol-6-yl)-N-(4-methylsulfinyl-3-pyridinyl)quinoxalin-6-amine?
The IUPAC name of 8-(5-fluoro-1-methylindol-6-yl)-N-(4-methylsulfinyl-3-pyridinyl)quinoxalin-6-amine (CID 145185471) is 8-(5-fluoro-1-methylindol-6-yl)-N-(4-methylsulfinyl-3-pyridinyl)quinoxalin-6-amine.
What is the SMILES notation for 8-(5-fluoro-1-methylindol-6-yl)-N-(4-methylsulfinyl-3-pyridinyl)quinoxalin-6-amine?
The canonical SMILES for 8-(5-fluoro-1-methylindol-6-yl)-N-(4-methylsulfinyl-3-pyridinyl)quinoxalin-6-amine is Cn1ccc2cc(F)c(-c3cc(Nc4cnccc4S(C)=O)cc4nccnc34)cc21.
What is the InChIKey of 8-(5-fluoro-1-methylindol-6-yl)-N-(4-methylsulfinyl-3-pyridinyl)quinoxalin-6-amine?
The InChIKey is OXNZUFKHEAGFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5OS/c1-29-8-4-14-9-18(24)16(12-21(14)29)17-10-15(11-19-23(17)27-7-6-26-19)28-20-13-25-5-3-22(20)31(2)30/h3-13,28H,1-2H3.
What are the key properties of 8-(5-fluoro-1-methylindol-6-yl)-N-(4-methylsulfinyl-3-pyridinyl)quinoxalin-6-amine?
8-(5-fluoro-1-methylindol-6-yl)-N-(4-methylsulfinyl-3-pyridinyl)quinoxalin-6-amine has a molecular weight of 431.50 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoro-1-methylindol-6-yl)-N-(4-methylsulfinyl-3-pyridinyl)quinoxalin-6-amine is sourced from PubChem (CID 145185471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).