(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone

C20H21N3O — CID 136582567

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
SMILESO=C([C@@H]1C[C@H]1c1cccnc1)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C20H21N3O/c24-20(17-12-16(17)14-4-3-9-21-13-14)23-11-10-22(15-7-8-15)18-5-1-2-6-19(18)23/h1-6,9,13,15-17H,7-8,10-12H2/t16-,17+/m0/s1
InChIKeyYVTYNJKBJOJNLO-DLBZAZTESA-N
MW319.41 g/mol
LogP3.20
Rot. Bonds3

About (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone (PubChem CID 136582567) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
PubChem CID136582567
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
SMILESO=C([C@@H]1C[C@H]1c1cccnc1)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C20H21N3O/c24-20(17-12-16(17)14-4-3-9-21-13-14)23-11-10-22(15-7-8-15)18-5-1-2-6-19(18)23/h1-6,9,13,15-17H,7-8,10-12H2/t16-,17+/m0/s1
InChIKeyYVTYNJKBJOJNLO-DLBZAZTESA-N
XLogP3.20
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone with MolForge

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Related Compounds

[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 95290618
1-[4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone
CID 110742540
[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 124824565
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 97012499
3,3-dimethyl-4-[(1R,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-2-one
CID 96515108
1-[(1S,2S)-2-pyridin-3-ylcyclopropyl]propan-1-one
CID 138715755
trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
CID 118994202
[(2S,3S)-2-methyl-3-phenylthiomorpholin-4-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 124835278
[(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56643265
cis-(1S,2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 98728827
methyl (1R,2R,4S)-2-pyridin-3-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 10657207
trans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 167979791

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone (CID 136582567) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone is O=C([C@@H]1C[C@H]1c1cccnc1)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone?
The InChIKey is YVTYNJKBJOJNLO-DLBZAZTESA-N. The full InChI is InChI=1S/C20H21N3O/c24-20(17-12-16(17)14-4-3-9-21-13-14)23-11-10-22(15-7-8-15)18-5-1-2-6-19(18)23/h1-6,9,13,15-17H,7-8,10-12H2/t16-,17+/m0/s1.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone has a molecular weight of 319.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone is sourced from PubChem (CID 136582567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).