tert-butyl N-[4-[2-(3-methoxyquinoxalin-5-yl)ethenyl]cyclohexyl]carbamate

C22H29N3O3 — CID 68618535

IUPACtert-butyl N-[4-[2-(3-methoxyquinoxalin-5-yl)ethenyl]cyclohexyl]carbamate
SMILESCOc1cnc2cccc(C=CC3CCC(NC(=O)OC(C)(C)C)CC3)c2n1
InChIInChI=1S/C22H29N3O3/c1-22(2,3)28-21(26)24-17-12-9-15(10-13-17)8-11-16-6-5-7-18-20(16)25-19(27-4)14-23-18/h5-8,11,14-15,17H,9-10,12-13H2,1-4H3,(H,24,26)
InChIKeyHWDNSPCKRMNAJT-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.74
Rot. Bonds4

About tert-butyl N-[4-[2-(3-methoxyquinoxalin-5-yl)ethenyl]cyclohexyl]carbamate

tert-butyl N-[4-[2-(3-methoxyquinoxalin-5-yl)ethenyl]cyclohexyl]carbamate (PubChem CID 68618535) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(3-methoxyquinoxalin-5-yl)ethenyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(3-methoxyquinoxalin-5-yl)ethenyl]cyclohexyl]carbamate
PubChem CID68618535
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Nametert-butyl N-[4-[2-(3-methoxyquinoxalin-5-yl)ethenyl]cyclohexyl]carbamate
SMILESCOc1cnc2cccc(C=CC3CCC(NC(=O)OC(C)(C)C)CC3)c2n1
InChIInChI=1S/C22H29N3O3/c1-22(2,3)28-21(26)24-17-12-9-15(10-13-17)8-11-16-6-5-7-18-20(16)25-19(27-4)14-23-18/h5-8,11,14-15,17H,9-10,12-13H2,1-4H3,(H,24,26)
InChIKeyHWDNSPCKRMNAJT-UHFFFAOYSA-N
XLogP4.74
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-[(E)-2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate
CID 68617905
tert-butyl N-[4-[2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate
CID 68617908
methyl 2-methoxy-8-[(E)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]ethenyl]quinoline-5-carboxylate
CID 67367023
tert-butyl N-[4-[3-(3-chloro-6-methoxyquinolin-4-yl)prop-1-enyl]cyclohexyl]carbamate
CID 71118498
tert-butyl N-[(2S,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate
CID 69192070
tert-butyl N-[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamate
CID 66746573
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexan-1-one
CID 67335399
[4-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexyl]methanol
CID 68567552
tert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate
CID 133410404
tert-butyl N-[(2S,3R,6S)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate
CID 69193963
tert-butyl N-[(2R)-2-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate
CID 67131153

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(3-methoxyquinoxalin-5-yl)ethenyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(3-methoxyquinoxalin-5-yl)ethenyl]cyclohexyl]carbamate (CID 68618535) is tert-butyl N-[4-[2-(3-methoxyquinoxalin-5-yl)ethenyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(3-methoxyquinoxalin-5-yl)ethenyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(3-methoxyquinoxalin-5-yl)ethenyl]cyclohexyl]carbamate is COc1cnc2cccc(C=CC3CCC(NC(=O)OC(C)(C)C)CC3)c2n1.
What is the InChIKey of tert-butyl N-[4-[2-(3-methoxyquinoxalin-5-yl)ethenyl]cyclohexyl]carbamate?
The InChIKey is HWDNSPCKRMNAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-22(2,3)28-21(26)24-17-12-9-15(10-13-17)8-11-16-6-5-7-18-20(16)25-19(27-4)14-23-18/h5-8,11,14-15,17H,9-10,12-13H2,1-4H3,(H,24,26).
What are the key properties of tert-butyl N-[4-[2-(3-methoxyquinoxalin-5-yl)ethenyl]cyclohexyl]carbamate?
tert-butyl N-[4-[2-(3-methoxyquinoxalin-5-yl)ethenyl]cyclohexyl]carbamate has a molecular weight of 383.49 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(3-methoxyquinoxalin-5-yl)ethenyl]cyclohexyl]carbamate is sourced from PubChem (CID 68618535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).