ethyl 3-[(4-methylcyclohexyl)amino]quinoxaline-2-carboxylate

C18H23N3O2 — CID 50764979

IUPACethyl 3-[(4-methylcyclohexyl)amino]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1NC1CCC(C)CC1
InChIInChI=1S/C18H23N3O2/c1-3-23-18(22)16-17(19-13-10-8-12(2)9-11-13)21-15-7-5-4-6-14(15)20-16/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,21)
InChIKeyNNTXVUVNSRRNPZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.80
Rot. Bonds4

About ethyl 3-[(4-methylcyclohexyl)amino]quinoxaline-2-carboxylate

ethyl 3-[(4-methylcyclohexyl)amino]quinoxaline-2-carboxylate (PubChem CID 50764979) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl 3-[(4-methylcyclohexyl)amino]quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(4-methylcyclohexyl)amino]quinoxaline-2-carboxylate
PubChem CID50764979
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Nameethyl 3-[(4-methylcyclohexyl)amino]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1NC1CCC(C)CC1
InChIInChI=1S/C18H23N3O2/c1-3-23-18(22)16-17(19-13-10-8-12(2)9-11-13)21-15-7-5-4-6-14(15)20-16/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,21)
InChIKeyNNTXVUVNSRRNPZ-UHFFFAOYSA-N
XLogP3.80
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-methylcyclohexyl)amino]quinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-[(4-methylcyclohexyl)amino]quinoxaline-2-carboxylate (CID 50764979) is ethyl 3-[(4-methylcyclohexyl)amino]quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-[(4-methylcyclohexyl)amino]quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-[(4-methylcyclohexyl)amino]quinoxaline-2-carboxylate is CCOC(=O)c1nc2ccccc2nc1NC1CCC(C)CC1.
What is the InChIKey of ethyl 3-[(4-methylcyclohexyl)amino]quinoxaline-2-carboxylate?
The InChIKey is NNTXVUVNSRRNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-23-18(22)16-17(19-13-10-8-12(2)9-11-13)21-15-7-5-4-6-14(15)20-16/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,21).
What are the key properties of ethyl 3-[(4-methylcyclohexyl)amino]quinoxaline-2-carboxylate?
ethyl 3-[(4-methylcyclohexyl)amino]quinoxaline-2-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-methylcyclohexyl)amino]quinoxaline-2-carboxylate is sourced from PubChem (CID 50764979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).