(3S)-1'-(cyclopropanecarbonyl)-5-quinoxalin-6-ylspiro[1H-indole-3,2'-pyrrolidine]-2-one

C23H20N4O2 — CID 138857923

IUPAC(3S)-1'-(cyclopropanecarbonyl)-5-quinoxalin-6-ylspiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESO=C(C1CC1)N1CCC[C@]12C(=O)Nc1ccc(-c3ccc4nccnc4c3)cc12
InChIInChI=1S/C23H20N4O2/c28-21(14-2-3-14)27-11-1-8-23(27)17-12-15(4-6-18(17)26-22(23)29)16-5-7-19-20(13-16)25-10-9-24-19/h4-7,9-10,12-14H,1-3,8,11H2,(H,26,29)/t23-/m0/s1
InChIKeyPXPGVPPGCPSCSN-QHCPKHFHSA-N
MW384.44 g/mol
LogP3.48
Rot. Bonds2

About (3S)-1'-(cyclopropanecarbonyl)-5-quinoxalin-6-ylspiro[1H-indole-3,2'-pyrrolidine]-2-one

(3S)-1'-(cyclopropanecarbonyl)-5-quinoxalin-6-ylspiro[1H-indole-3,2'-pyrrolidine]-2-one (PubChem CID 138857923) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is (3S)-1'-(cyclopropanecarbonyl)-5-quinoxalin-6-ylspiro[1H-indole-3,2'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3S)-1'-(cyclopropanecarbonyl)-5-quinoxalin-6-ylspiro[1H-indole-3,2'-pyrrolidine]-2-one
PubChem CID138857923
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name(3S)-1'-(cyclopropanecarbonyl)-5-quinoxalin-6-ylspiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESO=C(C1CC1)N1CCC[C@]12C(=O)Nc1ccc(-c3ccc4nccnc4c3)cc12
InChIInChI=1S/C23H20N4O2/c28-21(14-2-3-14)27-11-1-8-23(27)17-12-15(4-6-18(17)26-22(23)29)16-5-7-19-20(13-16)25-10-9-24-19/h4-7,9-10,12-14H,1-3,8,11H2,(H,26,29)/t23-/m0/s1
InChIKeyPXPGVPPGCPSCSN-QHCPKHFHSA-N
XLogP3.48
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1'-(cyclopropanecarbonyl)-5-quinoxalin-6-ylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The IUPAC name of (3S)-1'-(cyclopropanecarbonyl)-5-quinoxalin-6-ylspiro[1H-indole-3,2'-pyrrolidine]-2-one (CID 138857923) is (3S)-1'-(cyclopropanecarbonyl)-5-quinoxalin-6-ylspiro[1H-indole-3,2'-pyrrolidine]-2-one.
What is the SMILES notation for (3S)-1'-(cyclopropanecarbonyl)-5-quinoxalin-6-ylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The canonical SMILES for (3S)-1'-(cyclopropanecarbonyl)-5-quinoxalin-6-ylspiro[1H-indole-3,2'-pyrrolidine]-2-one is O=C(C1CC1)N1CCC[C@]12C(=O)Nc1ccc(-c3ccc4nccnc4c3)cc12.
What is the InChIKey of (3S)-1'-(cyclopropanecarbonyl)-5-quinoxalin-6-ylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The InChIKey is PXPGVPPGCPSCSN-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-21(14-2-3-14)27-11-1-8-23(27)17-12-15(4-6-18(17)26-22(23)29)16-5-7-19-20(13-16)25-10-9-24-19/h4-7,9-10,12-14H,1-3,8,11H2,(H,26,29)/t23-/m0/s1.
What are the key properties of (3S)-1'-(cyclopropanecarbonyl)-5-quinoxalin-6-ylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
(3S)-1'-(cyclopropanecarbonyl)-5-quinoxalin-6-ylspiro[1H-indole-3,2'-pyrrolidine]-2-one has a molecular weight of 384.44 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1'-(cyclopropanecarbonyl)-5-quinoxalin-6-ylspiro[1H-indole-3,2'-pyrrolidine]-2-one is sourced from PubChem (CID 138857923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).