4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one

C17H23N3O2 — CID 26613483

IUPAC4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESC[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCCCCC1
InChIInChI=1S/C17H23N3O2/c1-13(19-10-6-2-3-7-11-19)17(22)20-12-16(21)18-14-8-4-5-9-15(14)20/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeySULQVNJCIQMQAV-CYBMUJFWSA-N
MW301.39 g/mol
LogP2.24
Rot. Bonds2

About 4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one

4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 26613483) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID26613483
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESC[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCCCCC1
InChIInChI=1S/C17H23N3O2/c1-13(19-10-6-2-3-7-11-19)17(22)20-12-16(21)18-14-8-4-5-9-15(14)20/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeySULQVNJCIQMQAV-CYBMUJFWSA-N
XLogP2.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

methyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate
CID 8754651
4-[2-(4-methyl-3-oxopiperazin-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 154861557
ethyl (3S)-1-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-3-carboxylate
CID 31314657
4-[(2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 95309206
4-(2-piperidin-1-ylpropanoyl)-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
CID 51224456
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892
4-[(2S)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 124618311
4-[2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 24682318
4-[(2S)-2-(cyclooctylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8558893
4-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 9406687

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one (CID 26613483) is 4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one is C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCCCCC1.
What is the InChIKey of 4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is SULQVNJCIQMQAV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13(19-10-6-2-3-7-11-19)17(22)20-12-16(21)18-14-8-4-5-9-15(14)20/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3,(H,18,21)/t13-/m1/s1.
What are the key properties of 4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 301.39 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 26613483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).