ethyl N-[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]carbamate

C19H23FN4O3 — CID 51120310

IUPACethyl N-[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)c2cc(F)cc3nc(C)c(C)nc23)C1
InChIInChI=1S/C19H23FN4O3/c1-4-27-19(26)23-14-6-5-7-24(10-14)18(25)15-8-13(20)9-16-17(15)22-12(3)11(2)21-16/h8-9,14H,4-7,10H2,1-3H3,(H,23,26)
InChIKeyLLABOOZDNADGLX-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.74
Rot. Bonds3

About ethyl N-[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]carbamate

ethyl N-[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]carbamate (PubChem CID 51120310) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is ethyl N-[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]carbamate
PubChem CID51120310
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Nameethyl N-[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)c2cc(F)cc3nc(C)c(C)nc23)C1
InChIInChI=1S/C19H23FN4O3/c1-4-27-19(26)23-14-6-5-7-24(10-14)18(25)15-8-13(20)9-16-17(15)22-12(3)11(2)21-16/h8-9,14H,4-7,10H2,1-3H3,(H,23,26)
InChIKeyLLABOOZDNADGLX-UHFFFAOYSA-N
XLogP2.74
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]carbamate (CID 51120310) is ethyl N-[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(C(=O)c2cc(F)cc3nc(C)c(C)nc23)C1.
What is the InChIKey of ethyl N-[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]carbamate?
The InChIKey is LLABOOZDNADGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-4-27-19(26)23-14-6-5-7-24(10-14)18(25)15-8-13(20)9-16-17(15)22-12(3)11(2)21-16/h8-9,14H,4-7,10H2,1-3H3,(H,23,26).
What are the key properties of ethyl N-[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]carbamate?
ethyl N-[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]carbamate has a molecular weight of 374.42 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 51120310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).