6-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]chromen-4-one

C24H18N4O2 — CID 122689019

IUPAC6-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]chromen-4-one
SMILESCC(Nc1cc(-c2ccc3occc(=O)c3c2)c2nccnc2c1)c1cccnc1
InChIInChI=1S/C24H18N4O2/c1-15(17-3-2-7-25-14-17)28-18-12-19(24-21(13-18)26-8-9-27-24)16-4-5-23-20(11-16)22(29)6-10-30-23/h2-15,28H,1H3
InChIKeyQHAJOLQECFLUHE-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.97
Rot. Bonds4

About 6-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]chromen-4-one

6-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]chromen-4-one (PubChem CID 122689019) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 6-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]chromen-4-one.

Molecular Properties

Compound Name6-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]chromen-4-one
PubChem CID122689019
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name6-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]chromen-4-one
SMILESCC(Nc1cc(-c2ccc3occc(=O)c3c2)c2nccnc2c1)c1cccnc1
InChIInChI=1S/C24H18N4O2/c1-15(17-3-2-7-25-14-17)28-18-12-19(24-21(13-18)26-8-9-27-24)16-4-5-23-20(11-16)22(29)6-10-30-23/h2-15,28H,1H3
InChIKeyQHAJOLQECFLUHE-UHFFFAOYSA-N
XLogP4.97
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(1-methylindol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine
CID 122689144
8-(1H-indol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine
CID 134540243
8-[3-(3-aminoazetidin-1-yl)phenyl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;ethane
CID 145185350
N-(1-pyridin-3-ylpropyl)-8-quinolin-6-ylquinoxalin-6-amine
CID 145185335
8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine
CID 122689036
1-(5-bromo-3-pyridinyl)ethanamine;1-(5-bromo-3-pyridinyl)ethanone;8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine
CID 159279171
8-(1-methylindol-6-yl)-N-(1-pyrazin-2-ylethyl)quinoxalin-6-amine
CID 122689287
8-(3-methyl-1-benzothiophen-5-yl)-N-[(3-methylimidazol-4-yl)-pyridin-3-ylmethyl]quinoxalin-6-amine
CID 122689292
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 122689360
2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine
CID 43745111
ethane;4-[7-[[piperidin-4-yl(pyridin-3-yl)methyl]amino]quinoxalin-5-yl]benzenethiol
CID 145185016
N-[(R)-(6-methylidene-1H-pyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 134509466

Frequently Asked Questions

What is the IUPAC name of 6-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]chromen-4-one?
The IUPAC name of 6-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]chromen-4-one (CID 122689019) is 6-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]chromen-4-one.
What is the SMILES notation for 6-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]chromen-4-one?
The canonical SMILES for 6-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]chromen-4-one is CC(Nc1cc(-c2ccc3occc(=O)c3c2)c2nccnc2c1)c1cccnc1.
What is the InChIKey of 6-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]chromen-4-one?
The InChIKey is QHAJOLQECFLUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-15(17-3-2-7-25-14-17)28-18-12-19(24-21(13-18)26-8-9-27-24)16-4-5-23-20(11-16)22(29)6-10-30-23/h2-15,28H,1H3.
What are the key properties of 6-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]chromen-4-one?
6-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]chromen-4-one has a molecular weight of 394.43 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]chromen-4-one is sourced from PubChem (CID 122689019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).