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

C56H45ClN14 — CID 159414227

IUPACN-[(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
SMILESCn1ccc2cc(-c3cc(Cl)cc4nccnc34)ccc21.Cn1ccc2cc(-c3cc(N)cc4nccnc34)ccc21.Cn1ccc2cc(-c3cc(NCc4cnc(N)nc4)cc4nccnc34)ccc21
InChIInChI=1S/C22H19N7.C17H12ClN3.C17H14N4/c1-29-7-4-16-8-15(2-3-20(16)29)18-9-17(10-19-21(18)25-6-5-24-19)26-11-14-12-27-22(23)28-13-14;2*1-21-7-4-12-8-11(2-3-16(12)21)14-9-13(18)10-15-17(14)20-6-5-19-15/h2-10,12-13,26H,11H2,1H3,(H2,23,27,28);2-10H,1H3;2-10H,18H2,1H3
InChIKeyLOYPFWOCABDWHG-UHFFFAOYSA-N
MW949.53 g/mol
LogP11.59
Rot. Bonds6

About 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

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 (PubChem CID 159414227) has the molecular formula C56H45ClN14 and a molecular weight of 949.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID159414227
Molecular FormulaC56H45ClN14
Molecular Weight949.53 g/mol
Exact Mass948.36
IUPAC NameN-[(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
SMILESCn1ccc2cc(-c3cc(Cl)cc4nccnc34)ccc21.Cn1ccc2cc(-c3cc(N)cc4nccnc34)ccc21.Cn1ccc2cc(-c3cc(NCc4cnc(N)nc4)cc4nccnc34)ccc21
InChIInChI=1S/C22H19N7.C17H12ClN3.C17H14N4/c1-29-7-4-16-8-15(2-3-20(16)29)18-9-17(10-19-21(18)25-6-5-24-19)26-11-14-12-27-22(23)28-13-14;2*1-21-7-4-12-8-11(2-3-16(12)21)14-9-13(18)10-15-17(14)20-6-5-19-15/h2-10,12-13,26H,11H2,1H3,(H2,23,27,28);2-10H,1H3;2-10H,18H2,1H3
InChIKeyLOYPFWOCABDWHG-UHFFFAOYSA-N
XLogP11.59
TPSA181.98 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500949.53
LogP ≤ 511.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]quinoxalin-6-amine
CID 122689414
8-(1-methylindol-5-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine
CID 122688970
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-[(2-methylpyrazol-3-yl)methyl]quinoxalin-6-amine
CID 122688976
4-(1-methylindol-5-yl)pyrimidine-2,5-diamine
CID 82388292
7-chloro-5-(1-methylindol-6-yl)quinoxaline;1-[(3R)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyrrolidin-1-yl]ethanone
CID 159012532
8-(1-methylindol-6-yl)-N-(1-pyrazin-2-ylethyl)quinoxalin-6-amine
CID 122689287
8-(1-methylindol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine
CID 122689144
8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine
CID 122689036
2-(2-aminopyrimidin-4-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxylic acid
CID 122690911
2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide
CID 122690617

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1ccc2cc(-c3cc(Cl)cc4nccnc34)ccc21.Cn1ccc2cc(-c3cc(N)cc4nccnc34)ccc21.Cn1ccc2cc(-c3cc(NCc4cnc(N)nc4)cc4nccnc34)ccc21.
What is the InChIKey of 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?
The InChIKey is LOYPFWOCABDWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7.C17H12ClN3.C17H14N4/c1-29-7-4-16-8-15(2-3-20(16)29)18-9-17(10-19-21(18)25-6-5-24-19)26-11-14-12-27-22(23)28-13-14;2*1-21-7-4-12-8-11(2-3-16(12)21)14-9-13(18)10-15-17(14)20-6-5-19-15/h2-10,12-13,26H,11H2,1H3,(H2,23,27,28);2-10H,1H3;2-10H,18H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 949.53 g/mol, XLogP of 11.59, 6 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159414227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).