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

C50H46N12O — CID 158764153

IUPAC8-(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
SMILESCN1CCOC(CNc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1.Cn1ccc2ccc(-c3cc(NCc4cnccc4-c4cncnc4)cc4nccnc34)cc21
InChIInChI=1S/C27H21N7.C23H25N5O/c1-34-9-5-18-2-3-19(10-26(18)34)24-11-22(12-25-27(24)32-8-7-31-25)33-16-21-13-28-6-4-23(21)20-14-29-17-30-15-20;1-27-9-10-29-19(15-27)14-26-18-12-20(23-21(13-18)24-6-7-25-23)17-4-3-16-5-8-28(2)22(16)11-17/h2-15,17,33H,16H2,1H3;3-8,11-13,19,26H,9-10,14-15H2,1-2H3
InChIKeyIPAVSTZMSWTSFZ-UHFFFAOYSA-N
MW831.00 g/mol
LogP8.78
Rot. Bonds9

About 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

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 (PubChem CID 158764153) has the molecular formula C50H46N12O and a molecular weight of 831.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID158764153
Molecular FormulaC50H46N12O
Molecular Weight831.00 g/mol
Exact Mass830.39
IUPAC Name8-(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
SMILESCN1CCOC(CNc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1.Cn1ccc2ccc(-c3cc(NCc4cnccc4-c4cncnc4)cc4nccnc34)cc21
InChIInChI=1S/C27H21N7.C23H25N5O/c1-34-9-5-18-2-3-19(10-26(18)34)24-11-22(12-25-27(24)32-8-7-31-25)33-16-21-13-28-6-4-23(21)20-14-29-17-30-15-20;1-27-9-10-29-19(15-27)14-26-18-12-20(23-21(13-18)24-6-7-25-23)17-4-3-16-5-8-28(2)22(16)11-17/h2-15,17,33H,16H2,1H3;3-8,11-13,19,26H,9-10,14-15H2,1-2H3
InChIKeyIPAVSTZMSWTSFZ-UHFFFAOYSA-N
XLogP8.78
TPSA136.62 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500831.00
LogP ≤ 58.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

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-pyrazin-2-ylethyl)quinoxalin-6-amine
CID 122689287
N-(3,4-dihydro-2H-chromen-4-yl)-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 122689013
8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine
CID 122689036
8-(1-methylindol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine
CID 122689144
8-(1-methylindol-5-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine
CID 122688970
2-methylbutan-2-yl 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyrrolidine-1-carboxylate
CID 145185187
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-[piperidin-4-yl(pyridin-4-yl)methyl]quinoxalin-6-amine
CID 122689347
N-(1-acetylpiperidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide
CID 122690595
ethane;N-[(Z)-2-(ethylideneamino)-1-(1-methylpiperidin-4-yl)but-2-enyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 145185125

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCOC(CNc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1.Cn1ccc2ccc(-c3cc(NCc4cnccc4-c4cncnc4)cc4nccnc34)cc21.
What is the InChIKey of 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?
The InChIKey is IPAVSTZMSWTSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N7.C23H25N5O/c1-34-9-5-18-2-3-19(10-26(18)34)24-11-22(12-25-27(24)32-8-7-31-25)33-16-21-13-28-6-4-23(21)20-14-29-17-30-15-20;1-27-9-10-29-19(15-27)14-26-18-12-20(23-21(13-18)24-6-7-25-23)17-4-3-16-5-8-28(2)22(16)11-17/h2-15,17,33H,16H2,1H3;3-8,11-13,19,26H,9-10,14-15H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 831.00 g/mol, XLogP of 8.78, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158764153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).