N-[(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(R)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine

C84H84N18O6 — CID 146486496

IUPACN-[(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(R)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
SMILESCOc1ccc(C(Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C2CNCCO2)cn1.COc1ccc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C2CNCCO2)cn1.COc1ccc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C2CNCCO2)cn1
InChIInChI=1S/3C28H28N6O2/c3*1-34-11-7-18-3-4-19(13-24(18)34)22-14-21(15-23-28(22)31-9-8-30-23)33-27(25-17-29-10-12-36-25)20-5-6-26(35-2)32-16-20/h3*3-9,11,13-16,25,27,29,33H,10,12,17H2,1-2H3/t2*25?,27-;/m10./s1
InChIKeyMVBBRQBLJNUUKY-GWCLRQRFSA-N
MW1441.72 g/mol
LogP13.00
Rot. Bonds18

About N-[(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(R)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine

N-[(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(R)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine (PubChem CID 146486496) has the molecular formula C84H84N18O6 and a molecular weight of 1441.72 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(R)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(R)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
PubChem CID146486496
Molecular FormulaC84H84N18O6
Molecular Weight1441.72 g/mol
Exact Mass1440.68
IUPAC NameN-[(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(R)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
SMILESCOc1ccc(C(Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C2CNCCO2)cn1.COc1ccc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C2CNCCO2)cn1.COc1ccc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C2CNCCO2)cn1
InChIInChI=1S/3C28H28N6O2/c3*1-34-11-7-18-3-4-19(13-24(18)34)22-14-21(15-23-28(22)31-9-8-30-23)33-27(25-17-29-10-12-36-25)20-5-6-26(35-2)32-16-20/h3*3-9,11,13-16,25,27,29,33H,10,12,17H2,1-2H3/t2*25?,27-;/m10./s1
InChIKeyMVBBRQBLJNUUKY-GWCLRQRFSA-N
XLogP13.00
TPSA258.36 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001441.72
LogP ≤ 513.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze N-[(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(R)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(R)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(R)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine (CID 146486496) is N-[(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(R)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(R)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(R)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine is COc1ccc(C(Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C2CNCCO2)cn1.COc1ccc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C2CNCCO2)cn1.COc1ccc([C@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C2CNCCO2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(R)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The InChIKey is MVBBRQBLJNUUKY-GWCLRQRFSA-N. The full InChI is InChI=1S/3C28H28N6O2/c3*1-34-11-7-18-3-4-19(13-24(18)34)22-14-21(15-23-28(22)31-9-8-30-23)33-27(25-17-29-10-12-36-25)20-5-6-26(35-2)32-16-20/h3*3-9,11,13-16,25,27,29,33H,10,12,17H2,1-2H3/t2*25?,27-;/m10./s1.
What are the key properties of N-[(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(R)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
N-[(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(R)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine has a molecular weight of 1441.72 g/mol, XLogP of 13.00, 18 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(R)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N-[(S)-(6-methoxy-3-pyridinyl)-morpholin-2-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine is sourced from PubChem (CID 146486496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).