(4R)-4-pyridin-2-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline

C16H13N3 — CID 6927995

IUPAC(4R)-4-pyridin-2-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline
SMILESc1ccc([C@@H]2Nc3ccccc3-n3cccc32)nc1
InChIInChI=1S/C16H13N3/c1-2-8-14-12(6-1)18-16(13-7-3-4-10-17-13)15-9-5-11-19(14)15/h1-11,16,18H/t16-/m0/s1
InChIKeyBILWKZNGYDFVED-INIZCTEOSA-N
MW247.30 g/mol
LogP3.39
Rot. Bonds1

About (4R)-4-pyridin-2-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline

(4R)-4-pyridin-2-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline (PubChem CID 6927995) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is (4R)-4-pyridin-2-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name(4R)-4-pyridin-2-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline
PubChem CID6927995
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name(4R)-4-pyridin-2-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline
SMILESc1ccc([C@@H]2Nc3ccccc3-n3cccc32)nc1
InChIInChI=1S/C16H13N3/c1-2-8-14-12(6-1)18-16(13-7-3-4-10-17-13)15-9-5-11-19(14)15/h1-11,16,18H/t16-/m0/s1
InChIKeyBILWKZNGYDFVED-INIZCTEOSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133221611
(4S,5S)-1-cyclopentyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100523326
1-cyclohexyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133222716
2-pyridin-2-yl-1,2,3,4-tetrahydroquinoline
CID 90409822
1-benzyl-5-[1-(2-fluorophenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181119
2-[(2R)-azetidin-2-yl]pyridine;hydrochloride
CID 171197160
1-(3,4-dimethylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133158232
5-[1-(2-methylphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222964
12-(4-methylphenyl)-2,3,7,13-tetrazatetracyclo[12.4.0.02,6.07,11]octadeca-1(18),3,5,8,10,14,16-heptaene-5-carbonitrile
CID 10383308
5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157824
(4S,5R)-1-(4-cyclopentyloxyphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100607838
1-[2-(dimethylamino)ethyl]-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223389

Frequently Asked Questions

What is the IUPAC name of (4R)-4-pyridin-2-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline?
The IUPAC name of (4R)-4-pyridin-2-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline (CID 6927995) is (4R)-4-pyridin-2-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for (4R)-4-pyridin-2-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline?
The canonical SMILES for (4R)-4-pyridin-2-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline is c1ccc([C@@H]2Nc3ccccc3-n3cccc32)nc1.
What is the InChIKey of (4R)-4-pyridin-2-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline?
The InChIKey is BILWKZNGYDFVED-INIZCTEOSA-N. The full InChI is InChI=1S/C16H13N3/c1-2-8-14-12(6-1)18-16(13-7-3-4-10-17-13)15-9-5-11-19(14)15/h1-11,16,18H/t16-/m0/s1.
What are the key properties of (4R)-4-pyridin-2-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline?
(4R)-4-pyridin-2-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline has a molecular weight of 247.30 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-pyridin-2-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 6927995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).