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

C30H26N6O — CID 122688936

IUPACN-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine
SMILESCOc1ccc(C(c2cccnc2)N(C)c2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)cn1
InChIInChI=1S/C30H26N6O/c1-35-14-10-20-6-7-21(15-27(20)35)25-16-24(17-26-29(25)33-13-12-32-26)36(2)30(22-5-4-11-31-18-22)23-8-9-28(37-3)34-19-23/h4-19,30H,1-3H3
InChIKeySMFHUIUVOAOIGI-UHFFFAOYSA-N
MW486.58 g/mol
LogP5.81
Rot. Bonds6

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

N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine (PubChem CID 122688936) has the molecular formula C30H26N6O and a molecular weight of 486.58 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine
PubChem CID122688936
Molecular FormulaC30H26N6O
Molecular Weight486.58 g/mol
Exact Mass486.22
IUPAC NameN-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine
SMILESCOc1ccc(C(c2cccnc2)N(C)c2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)cn1
InChIInChI=1S/C30H26N6O/c1-35-14-10-20-6-7-21(15-27(20)35)25-16-24(17-26-29(25)33-13-12-32-26)36(2)30(22-5-4-11-31-18-22)23-8-9-28(37-3)34-19-23/h4-19,30H,1-3H3
InChIKeySMFHUIUVOAOIGI-UHFFFAOYSA-N
XLogP5.81
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine (CID 122688936) is N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine is COc1ccc(C(c2cccnc2)N(C)c2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The InChIKey is SMFHUIUVOAOIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O/c1-35-14-10-20-6-7-21(15-27(20)35)25-16-24(17-26-29(25)33-13-12-32-26)36(2)30(22-5-4-11-31-18-22)23-8-9-28(37-3)34-19-23/h4-19,30H,1-3H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine?
N-[(6-methoxy-3-pyridinyl)-pyridin-3-ylmethyl]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine has a molecular weight of 486.58 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 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]-N-methyl-8-(1-methylindol-6-yl)quinoxalin-6-amine is sourced from PubChem (CID 122688936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).