8-(1-methylindol-5-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine

C23H25N5 — CID 122688970

IUPAC8-(1-methylindol-5-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine
SMILESCn1ccc2cc(-c3cc(NCC4CCCCN4)cc4nccnc34)ccc21
InChIInChI=1S/C23H25N5/c1-28-11-7-17-12-16(5-6-22(17)28)20-13-19(14-21-23(20)26-10-9-25-21)27-15-18-4-2-3-8-24-18/h5-7,9-14,18,24,27H,2-4,8,15H2,1H3
InChIKeyAEXYGUNYQJWKOT-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.34
Rot. Bonds4

About 8-(1-methylindol-5-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine

8-(1-methylindol-5-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine (PubChem CID 122688970) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is 8-(1-methylindol-5-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine.

Molecular Properties

Compound Name8-(1-methylindol-5-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine
PubChem CID122688970
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC Name8-(1-methylindol-5-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine
SMILESCn1ccc2cc(-c3cc(NCC4CCCCN4)cc4nccnc34)ccc21
InChIInChI=1S/C23H25N5/c1-28-11-7-17-12-16(5-6-22(17)28)20-13-19(14-21-23(20)26-10-9-25-21)27-15-18-4-2-3-8-24-18/h5-7,9-14,18,24,27H,2-4,8,15H2,1H3
InChIKeyAEXYGUNYQJWKOT-UHFFFAOYSA-N
XLogP4.34
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-aminopyrimidin-5-yl)methyl]-8-(1-methylindol-5-yl)quinoxalin-6-amine;7-chloro-5-(1-methylindol-5-yl)quinoxaline;8-(1-methylindol-5-yl)quinoxalin-6-amine
CID 159414227
8-(1-methylindol-6-yl)-N-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]quinoxalin-6-amine
CID 122689414
2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione
CID 106632832
8-(1-methylindol-6-yl)-N-[(4-methylmorpholin-2-yl)methyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(4-pyrimidin-5-yl-3-pyridinyl)methyl]quinoxalin-6-amine
CID 158764153
8-(1-methylindol-6-yl)-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]quinoxalin-6-amine
CID 122689341
8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine
CID 122689036
8-(1-methylindol-6-yl)-N-(2-piperazin-1-ylsulfonylphenyl)quinoxalin-6-amine
CID 134463137
1-[(3S)-3-[2-[8-(1-methylindol-6-yl)quinoxalin-6-yl]ethyl]piperidin-1-yl]ethanone
CID 145185112
N-[(3-aminophenyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-[(3-nitrophenyl)methyl]quinoxalin-6-amine
CID 157306283
8-(1-methylindol-6-yl)-N-[1-(1-methylpiperidin-3-yl)-2H-pyridin-3-yl]quinoxalin-6-amine
CID 175860569
8-(1-methylindol-6-yl)-N-(3-methylsulfinyl-2-pyridinyl)quinoxalin-6-amine
CID 145185389
8-(1-methylindol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine
CID 122689144

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylindol-5-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine?
The IUPAC name of 8-(1-methylindol-5-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine (CID 122688970) is 8-(1-methylindol-5-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine.
What is the SMILES notation for 8-(1-methylindol-5-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine?
The canonical SMILES for 8-(1-methylindol-5-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine is Cn1ccc2cc(-c3cc(NCC4CCCCN4)cc4nccnc34)ccc21.
What is the InChIKey of 8-(1-methylindol-5-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine?
The InChIKey is AEXYGUNYQJWKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5/c1-28-11-7-17-12-16(5-6-22(17)28)20-13-19(14-21-23(20)26-10-9-25-21)27-15-18-4-2-3-8-24-18/h5-7,9-14,18,24,27H,2-4,8,15H2,1H3.
What are the key properties of 8-(1-methylindol-5-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine?
8-(1-methylindol-5-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine has a molecular weight of 371.49 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylindol-5-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine is sourced from PubChem (CID 122688970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).