N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine

C29H24N6O — CID 122689038

IUPACN-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
SMILESCOc1ccc(C(Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)cn1
InChIInChI=1S/C29H24N6O/c1-35-13-9-19-5-6-20(14-26(19)35)24-15-23(16-25-29(24)32-12-11-31-25)34-28(21-4-3-10-30-17-21)22-7-8-27(36-2)33-18-22/h3-18,28,34H,1-2H3
InChIKeyXBBUJUUODZDTIM-UHFFFAOYSA-N
MW472.55 g/mol
LogP5.79
Rot. Bonds6

About N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine

N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine (PubChem CID 122689038) has the molecular formula C29H24N6O and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
PubChem CID122689038
Molecular FormulaC29H24N6O
Molecular Weight472.55 g/mol
Exact Mass472.20
IUPAC NameN-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
SMILESCOc1ccc(C(Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)cn1
InChIInChI=1S/C29H24N6O/c1-35-13-9-19-5-6-20(14-26(19)35)24-15-23(16-25-29(24)32-12-11-31-25)34-28(21-4-3-10-30-17-21)22-7-8-27(36-2)33-18-22/h3-18,28,34H,1-2H3
InChIKeyXBBUJUUODZDTIM-UHFFFAOYSA-N
XLogP5.79
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

BGT-226 free base
CID 11978790
8-(6-Methoxy-3-pyridinyl)-3-methyl-1-[4-[3-(trifluoromethyl)piperazin-1-yl]phenyl]imidazo[4,5-c]quinolin-2-one
CID 133053811
8-[4-[4-(5-methoxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1,2,3,4-tetrahydroacridin-9-amine
CID 145962768
(1S,3S)-N-(7-Methoxy-4-methylquinolin-2-yl)-N'-[(1-methyl-1H-pyrrolo[3,2-h]quinolin-3-yl)methyl]cyclopentane-1,3-diamine
CID 11178792
N-[(6-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 122689194
N-[(4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 154685076
(S)-N-(2-methoxybenzyl)-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-amine
CID 44407327
4-methoxy-11-methyl-3H-pyrrolo[3,2-c][1,10]phenanthroline
CID 44587499
Picrasidine G
CID 5318871
4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide
CID 58379499
1-benzyl-8-(6-methoxy-3-pyridinyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379584
8-(6-Methoxy-3-pyridinyl)-3-methyl-1-piperidin-4-ylimidazo[4,5-c]quinolin-2-one
CID 60151277

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine (CID 122689038) is N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine is COc1ccc(C(Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The InChIKey is XBBUJUUODZDTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6O/c1-35-13-9-19-5-6-20(14-26(19)35)24-15-23(16-25-29(24)32-12-11-31-25)34-28(21-4-3-10-30-17-21)22-7-8-27(36-2)33-18-22/h3-18,28,34H,1-2H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine has a molecular weight of 472.55 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine is sourced from PubChem (CID 122689038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).