N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide

C19H23N3O — CID 22956895

IUPACN-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1cnc3ccccc3n1)C2
InChIInChI=1S/C19H23N3O/c1-18(2)12-8-9-19(18,3)16(10-12)22-17(23)15-11-20-13-6-4-5-7-14(13)21-15/h4-7,11-12,16H,8-10H2,1-3H3,(H,22,23)/t12-,16+,19-/m0/s1
InChIKeyIPORSHBZBMRUEA-MOFZMDFASA-N
MW309.41 g/mol
LogP3.57
Rot. Bonds2

About N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide

N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide (PubChem CID 22956895) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide
PubChem CID22956895
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1cnc3ccccc3n1)C2
InChIInChI=1S/C19H23N3O/c1-18(2)12-8-9-19(18,3)16(10-12)22-17(23)15-11-20-13-6-4-5-7-14(13)21-15/h4-7,11-12,16H,8-10H2,1-3H3,(H,22,23)/t12-,16+,19-/m0/s1
InChIKeyIPORSHBZBMRUEA-MOFZMDFASA-N
XLogP3.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide with MolForge

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Related Compounds

6-chloro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazine-2-carboxamide
CID 103187278
4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 892493
4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 60629735
2-(2-oxoquinoxalin-1-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98785403
N-cyclooctylquinoxaline-2-carboxamide
CID 22136387
N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-6-carboxamide
CID 98785961
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 51707862
5-(furan-2-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-3-carboxamide
CID 98785750
4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 98641400
2,2-diphenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 4635743
2-phenoxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 2921422
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)quinoxaline-2-carboxamide
CID 45352272

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide (CID 22956895) is N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide is CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1cnc3ccccc3n1)C2.
What is the InChIKey of N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide?
The InChIKey is IPORSHBZBMRUEA-MOFZMDFASA-N. The full InChI is InChI=1S/C19H23N3O/c1-18(2)12-8-9-19(18,3)16(10-12)22-17(23)15-11-20-13-6-4-5-7-14(13)21-15/h4-7,11-12,16H,8-10H2,1-3H3,(H,22,23)/t12-,16+,19-/m0/s1.
What are the key properties of N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide?
N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 22956895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).