8-(1-methylindol-6-yl)-N-[(2-methylpyrazol-3-yl)methyl]quinoxalin-6-amine

C22H20N6 — CID 122688976

IUPAC8-(1-methylindol-6-yl)-N-[(2-methylpyrazol-3-yl)methyl]quinoxalin-6-amine
SMILESCn1nccc1CNc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1
InChIInChI=1S/C22H20N6/c1-27-10-6-15-3-4-16(11-21(15)27)19-12-17(13-20-22(19)24-9-8-23-20)25-14-18-5-7-26-28(18)2/h3-13,25H,14H2,1-2H3
InChIKeyGQAMQMWFBQHFPA-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.13
Rot. Bonds4

About 8-(1-methylindol-6-yl)-N-[(2-methylpyrazol-3-yl)methyl]quinoxalin-6-amine

8-(1-methylindol-6-yl)-N-[(2-methylpyrazol-3-yl)methyl]quinoxalin-6-amine (PubChem CID 122688976) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is 8-(1-methylindol-6-yl)-N-[(2-methylpyrazol-3-yl)methyl]quinoxalin-6-amine.

Molecular Properties

Compound Name8-(1-methylindol-6-yl)-N-[(2-methylpyrazol-3-yl)methyl]quinoxalin-6-amine
PubChem CID122688976
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC Name8-(1-methylindol-6-yl)-N-[(2-methylpyrazol-3-yl)methyl]quinoxalin-6-amine
SMILESCn1nccc1CNc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1
InChIInChI=1S/C22H20N6/c1-27-10-6-15-3-4-16(11-21(15)27)19-12-17(13-20-22(19)24-9-8-23-20)25-14-18-5-7-26-28(18)2/h3-13,25H,14H2,1-2H3
InChIKeyGQAMQMWFBQHFPA-UHFFFAOYSA-N
XLogP4.13
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-(1-methylindol-6-yl)-N-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]quinoxalin-6-amine
CID 122689414
8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine
CID 122689036
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
2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide
CID 122690617
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
N-[(2-chloropyrimidin-5-yl)methyl]-8-(1-methylindol-5-yl)quinoxalin-6-amine;8-(1-methylindol-5-yl)quinoxalin-6-amine
CID 159415937
8-(1-methylindol-6-yl)-N-(3-methylsulfinyl-2-pyridinyl)quinoxalin-6-amine
CID 145185389
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 122689360
N-[(R)-(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 134509286
methyl 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-4-methylsulfonylbenzoate
CID 122690582
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-5-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine
CID 122688970

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylindol-6-yl)-N-[(2-methylpyrazol-3-yl)methyl]quinoxalin-6-amine?
The IUPAC name of 8-(1-methylindol-6-yl)-N-[(2-methylpyrazol-3-yl)methyl]quinoxalin-6-amine (CID 122688976) is 8-(1-methylindol-6-yl)-N-[(2-methylpyrazol-3-yl)methyl]quinoxalin-6-amine.
What is the SMILES notation for 8-(1-methylindol-6-yl)-N-[(2-methylpyrazol-3-yl)methyl]quinoxalin-6-amine?
The canonical SMILES for 8-(1-methylindol-6-yl)-N-[(2-methylpyrazol-3-yl)methyl]quinoxalin-6-amine is Cn1nccc1CNc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1.
What is the InChIKey of 8-(1-methylindol-6-yl)-N-[(2-methylpyrazol-3-yl)methyl]quinoxalin-6-amine?
The InChIKey is GQAMQMWFBQHFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c1-27-10-6-15-3-4-16(11-21(15)27)19-12-17(13-20-22(19)24-9-8-23-20)25-14-18-5-7-26-28(18)2/h3-13,25H,14H2,1-2H3.
What are the key properties of 8-(1-methylindol-6-yl)-N-[(2-methylpyrazol-3-yl)methyl]quinoxalin-6-amine?
8-(1-methylindol-6-yl)-N-[(2-methylpyrazol-3-yl)methyl]quinoxalin-6-amine has a molecular weight of 368.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylindol-6-yl)-N-[(2-methylpyrazol-3-yl)methyl]quinoxalin-6-amine is sourced from PubChem (CID 122688976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).