2-(2-oxoquinoxalin-1-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide

C20H25N3O2 — CID 98785403

IUPAC2-(2-oxoquinoxalin-1-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)Cn1c(=O)cnc3ccccc31)C2
InChIInChI=1S/C20H25N3O2/c1-19(2)13-8-9-20(19,3)16(10-13)22-17(24)12-23-15-7-5-4-6-14(15)21-11-18(23)25/h4-7,11,13,16H,8-10,12H2,1-3H3,(H,22,24)/t13-,16-,20-/m0/s1
InChIKeyVSFXERZCOMWPKP-RISOHXOYSA-N
MW339.44 g/mol
LogP2.73
Rot. Bonds3

About 2-(2-oxoquinoxalin-1-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide

2-(2-oxoquinoxalin-1-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 98785403) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(2-oxoquinoxalin-1-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound Name2-(2-oxoquinoxalin-1-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID98785403
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(2-oxoquinoxalin-1-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)Cn1c(=O)cnc3ccccc31)C2
InChIInChI=1S/C20H25N3O2/c1-19(2)13-8-9-20(19,3)16(10-13)22-17(24)12-23-15-7-5-4-6-14(15)21-11-18(23)25/h4-7,11,13,16H,8-10,12H2,1-3H3,(H,22,24)/t13-,16-,20-/m0/s1
InChIKeyVSFXERZCOMWPKP-RISOHXOYSA-N
XLogP2.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoquinoxalin-1-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of 2-(2-oxoquinoxalin-1-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide (CID 98785403) is 2-(2-oxoquinoxalin-1-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for 2-(2-oxoquinoxalin-1-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for 2-(2-oxoquinoxalin-1-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide is CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)Cn1c(=O)cnc3ccccc31)C2.
What is the InChIKey of 2-(2-oxoquinoxalin-1-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is VSFXERZCOMWPKP-RISOHXOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-19(2)13-8-9-20(19,3)16(10-13)22-17(24)12-23-15-7-5-4-6-14(15)21-11-18(23)25/h4-7,11,13,16H,8-10,12H2,1-3H3,(H,22,24)/t13-,16-,20-/m0/s1.
What are the key properties of 2-(2-oxoquinoxalin-1-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
2-(2-oxoquinoxalin-1-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoquinoxalin-1-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 98785403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).