N-(3,4-dihydro-2H-chromen-4-yl)-8-(1-methylindol-6-yl)quinoxalin-6-amine

C26H22N4O — CID 122689013

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-8-(1-methylindol-6-yl)quinoxalin-6-amine
SMILESCn1ccc2ccc(-c3cc(NC4CCOc5ccccc54)cc4nccnc34)cc21
InChIInChI=1S/C26H22N4O/c1-30-12-8-17-6-7-18(14-24(17)30)21-15-19(16-23-26(21)28-11-10-27-23)29-22-9-13-31-25-5-3-2-4-20(22)25/h2-8,10-12,14-16,22,29H,9,13H2,1H3
InChIKeyNGXCCKDKYBCSSQ-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.72
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-8-(1-methylindol-6-yl)quinoxalin-6-amine

N-(3,4-dihydro-2H-chromen-4-yl)-8-(1-methylindol-6-yl)quinoxalin-6-amine (PubChem CID 122689013) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-8-(1-methylindol-6-yl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-8-(1-methylindol-6-yl)quinoxalin-6-amine
PubChem CID122689013
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-8-(1-methylindol-6-yl)quinoxalin-6-amine
SMILESCn1ccc2ccc(-c3cc(NC4CCOc5ccccc54)cc4nccnc34)cc21
InChIInChI=1S/C26H22N4O/c1-30-12-8-17-6-7-18(14-24(17)30)21-15-19(16-23-26(21)28-11-10-27-23)29-22-9-13-31-25-5-3-2-4-20(22)25/h2-8,10-12,14-16,22,29H,9,13H2,1H3
InChIKeyNGXCCKDKYBCSSQ-UHFFFAOYSA-N
XLogP5.72
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3,4-dihydro-2H-chromen-4-yl)-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-8-(1-methylindol-6-yl)quinoxalin-6-amine (CID 122689013) is N-(3,4-dihydro-2H-chromen-4-yl)-8-(1-methylindol-6-yl)quinoxalin-6-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-8-(1-methylindol-6-yl)quinoxalin-6-amine is Cn1ccc2ccc(-c3cc(NC4CCOc5ccccc54)cc4nccnc34)cc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The InChIKey is NGXCCKDKYBCSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c1-30-12-8-17-6-7-18(14-24(17)30)21-15-19(16-23-26(21)28-11-10-27-23)29-22-9-13-31-25-5-3-2-4-20(22)25/h2-8,10-12,14-16,22,29H,9,13H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-8-(1-methylindol-6-yl)quinoxalin-6-amine?
N-(3,4-dihydro-2H-chromen-4-yl)-8-(1-methylindol-6-yl)quinoxalin-6-amine has a molecular weight of 406.49 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-8-(1-methylindol-6-yl)quinoxalin-6-amine is sourced from PubChem (CID 122689013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).