1-[2-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxoethyl]quinoxalin-2-one

C19H23N3O2 — CID 124740313

IUPAC1-[2-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxoethyl]quinoxalin-2-one
SMILESC[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C19H23N3O2/c1-13-10-14-6-2-4-8-16(14)22(13)19(24)12-21-17-9-5-3-7-15(17)20-11-18(21)23/h3,5,7,9,11,13-14,16H,2,4,6,8,10,12H2,1H3/t13-,14-,16-/m1/s1
InChIKeyUNTUYOPKKSJNRR-IIAWOOMASA-N
MW325.41 g/mol
LogP2.58
Rot. Bonds2

About 1-[2-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxoethyl]quinoxalin-2-one

1-[2-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxoethyl]quinoxalin-2-one (PubChem CID 124740313) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[2-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxoethyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[2-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxoethyl]quinoxalin-2-one
PubChem CID124740313
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[2-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxoethyl]quinoxalin-2-one
SMILESC[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C19H23N3O2/c1-13-10-14-6-2-4-8-16(14)22(13)19(24)12-21-17-9-5-3-7-15(17)20-11-18(21)23/h3,5,7,9,11,13-14,16H,2,4,6,8,10,12H2,1H3/t13-,14-,16-/m1/s1
InChIKeyUNTUYOPKKSJNRR-IIAWOOMASA-N
XLogP2.58
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxoethyl]quinoxalin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 94637166
1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 8851893
1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinoxalin-2-one
CID 42885478
1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]quinoxalin-2-one
CID 56819209
1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 56816771
1-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 27799698
1-(2-morpholin-4-yl-2-oxoethyl)quinoxalin-2-one
CID 8892399
1-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one
CID 120949700
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 98431117
1-[2-(2-oxoquinoxalin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462621
1-(2,6-dimethylpiperidin-1-yl)-2-(2-methylbenzimidazol-1-yl)ethanone
CID 73140279
1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 97275219

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxoethyl]quinoxalin-2-one?
The IUPAC name of 1-[2-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxoethyl]quinoxalin-2-one (CID 124740313) is 1-[2-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxoethyl]quinoxalin-2-one.
What is the SMILES notation for 1-[2-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxoethyl]quinoxalin-2-one?
The canonical SMILES for 1-[2-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxoethyl]quinoxalin-2-one is C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1c(=O)cnc2ccccc21.
What is the InChIKey of 1-[2-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxoethyl]quinoxalin-2-one?
The InChIKey is UNTUYOPKKSJNRR-IIAWOOMASA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-10-14-6-2-4-8-16(14)22(13)19(24)12-21-17-9-5-3-7-15(17)20-11-18(21)23/h3,5,7,9,11,13-14,16H,2,4,6,8,10,12H2,1H3/t13-,14-,16-/m1/s1.
What are the key properties of 1-[2-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxoethyl]quinoxalin-2-one?
1-[2-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxoethyl]quinoxalin-2-one has a molecular weight of 325.41 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxoethyl]quinoxalin-2-one is sourced from PubChem (CID 124740313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).