N-[(R)-(6-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine

C27H24N8O — CID 122689192

IUPACN-[(R)-(6-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
SMILESCOc1ccc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cnnn2C)cn1
InChIInChI=1S/C27H24N8O/c1-34-11-8-17-4-5-18(12-23(17)34)21-13-20(14-22-27(21)29-10-9-28-22)32-26(24-16-31-33-35(24)2)19-6-7-25(36-3)30-15-19/h4-16,26,32H,1-3H3/t26-/m1/s1
InChIKeyMZUHOFZPDUAMNB-AREMUKBSSA-N
MW476.54 g/mol
LogP4.52
Rot. Bonds6

About N-[(R)-(6-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine

N-[(R)-(6-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine (PubChem CID 122689192) has the molecular formula C27H24N8O and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[(R)-(6-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-[(R)-(6-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
PubChem CID122689192
Molecular FormulaC27H24N8O
Molecular Weight476.54 g/mol
Exact Mass476.21
IUPAC NameN-[(R)-(6-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
SMILESCOc1ccc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cnnn2C)cn1
InChIInChI=1S/C27H24N8O/c1-34-11-8-17-4-5-18(12-23(17)34)21-13-20(14-22-27(21)29-10-9-28-22)32-26(24-16-31-33-35(24)2)19-6-7-25(36-3)30-15-19/h4-16,26,32H,1-3H3/t26-/m1/s1
InChIKeyMZUHOFZPDUAMNB-AREMUKBSSA-N
XLogP4.52
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-(6-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The IUPAC name of N-[(R)-(6-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine (CID 122689192) is N-[(R)-(6-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine.
What is the SMILES notation for N-[(R)-(6-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The canonical SMILES for N-[(R)-(6-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine is COc1ccc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cnnn2C)cn1.
What is the InChIKey of N-[(R)-(6-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The InChIKey is MZUHOFZPDUAMNB-AREMUKBSSA-N. The full InChI is InChI=1S/C27H24N8O/c1-34-11-8-17-4-5-18(12-23(17)34)21-13-20(14-22-27(21)29-10-9-28-22)32-26(24-16-31-33-35(24)2)19-6-7-25(36-3)30-15-19/h4-16,26,32H,1-3H3/t26-/m1/s1.
What are the key properties of N-[(R)-(6-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
N-[(R)-(6-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine has a molecular weight of 476.54 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(6-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine is sourced from PubChem (CID 122689192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).