1-[(2S)-2-methyl-4-(5-propan-2-ylpyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone

C20H23N3O2 — CID 118079098

IUPAC1-[(2S)-2-methyl-4-(5-propan-2-ylpyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2N(C(=O)c2ccc(C(C)C)cn2)C[C@@H]1C
InChIInChI=1S/C20H23N3O2/c1-13(2)16-9-10-17(21-11-16)20(25)22-12-14(3)23(15(4)24)19-8-6-5-7-18(19)22/h5-11,13-14H,12H2,1-4H3/t14-/m0/s1
InChIKeyAEZZXNZPQHUEPP-AWEZNQCLSA-N
MW337.42 g/mol
LogP3.61
Rot. Bonds2

About 1-[(2S)-2-methyl-4-(5-propan-2-ylpyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone

1-[(2S)-2-methyl-4-(5-propan-2-ylpyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 118079098) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[(2S)-2-methyl-4-(5-propan-2-ylpyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-methyl-4-(5-propan-2-ylpyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
PubChem CID118079098
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-[(2S)-2-methyl-4-(5-propan-2-ylpyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2N(C(=O)c2ccc(C(C)C)cn2)C[C@@H]1C
InChIInChI=1S/C20H23N3O2/c1-13(2)16-9-10-17(21-11-16)20(25)22-12-14(3)23(15(4)24)19-8-6-5-7-18(19)22/h5-11,13-14H,12H2,1-4H3/t14-/m0/s1
InChIKeyAEZZXNZPQHUEPP-AWEZNQCLSA-N
XLogP3.61
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methyl-4-(5-propan-2-ylpyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-methyl-4-(5-propan-2-ylpyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone (CID 118079098) is 1-[(2S)-2-methyl-4-(5-propan-2-ylpyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-methyl-4-(5-propan-2-ylpyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-methyl-4-(5-propan-2-ylpyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone is CC(=O)N1c2ccccc2N(C(=O)c2ccc(C(C)C)cn2)C[C@@H]1C.
What is the InChIKey of 1-[(2S)-2-methyl-4-(5-propan-2-ylpyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone?
The InChIKey is AEZZXNZPQHUEPP-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13(2)16-9-10-17(21-11-16)20(25)22-12-14(3)23(15(4)24)19-8-6-5-7-18(19)22/h5-11,13-14H,12H2,1-4H3/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-methyl-4-(5-propan-2-ylpyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone?
1-[(2S)-2-methyl-4-(5-propan-2-ylpyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 337.42 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methyl-4-(5-propan-2-ylpyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 118079098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).