methyl 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylate

C16H19N3O2 — CID 115616832

IUPACmethyl 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Nc2cnc3ccccc3n2)CC1
InChIInChI=1S/C16H19N3O2/c1-21-16(20)11-6-8-12(9-7-11)18-15-10-17-13-4-2-3-5-14(13)19-15/h2-5,10-12H,6-9H2,1H3,(H,18,19)
InChIKeyWVDPTGOTZGRPGG-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.77
Rot. Bonds3

About methyl 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylate

methyl 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylate (PubChem CID 115616832) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is methyl 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylate
PubChem CID115616832
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namemethyl 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Nc2cnc3ccccc3n2)CC1
InChIInChI=1S/C16H19N3O2/c1-21-16(20)11-6-8-12(9-7-11)18-15-10-17-13-4-2-3-5-14(13)19-15/h2-5,10-12H,6-9H2,1H3,(H,18,19)
InChIKeyWVDPTGOTZGRPGG-UHFFFAOYSA-N
XLogP2.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylate (CID 115616832) is methyl 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylate is COC(=O)C1CCC(Nc2cnc3ccccc3n2)CC1.
What is the InChIKey of methyl 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylate?
The InChIKey is WVDPTGOTZGRPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-16(20)11-6-8-12(9-7-11)18-15-10-17-13-4-2-3-5-14(13)19-15/h2-5,10-12H,6-9H2,1H3,(H,18,19).
What are the key properties of methyl 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylate?
methyl 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(quinoxalin-2-ylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 115616832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).