ethyl 3-(quinoxalin-2-ylamino)propanoate

C13H15N3O2 — CID 47439650

IUPACethyl 3-(quinoxalin-2-ylamino)propanoate
SMILESCCOC(=O)CCNc1cnc2ccccc2n1
InChIInChI=1S/C13H15N3O2/c1-2-18-13(17)7-8-14-12-9-15-10-5-3-4-6-11(10)16-12/h3-6,9H,2,7-8H2,1H3,(H,14,16)
InChIKeyOZPVOGYVRQPXMQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.99
Rot. Bonds5

About ethyl 3-(quinoxalin-2-ylamino)propanoate

ethyl 3-(quinoxalin-2-ylamino)propanoate (PubChem CID 47439650) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 3-(quinoxalin-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(quinoxalin-2-ylamino)propanoate
PubChem CID47439650
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Nameethyl 3-(quinoxalin-2-ylamino)propanoate
SMILESCCOC(=O)CCNc1cnc2ccccc2n1
InChIInChI=1S/C13H15N3O2/c1-2-18-13(17)7-8-14-12-9-15-10-5-3-4-6-11(10)16-12/h3-6,9H,2,7-8H2,1H3,(H,14,16)
InChIKeyOZPVOGYVRQPXMQ-UHFFFAOYSA-N
XLogP1.99
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-3-(quinoxalin-2-ylamino)propanamide
CID 115609169
ethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate
CID 63885421
ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate
CID 114011571
ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate
CID 80653355
ethyl 4-(quinoxalin-2-ylmethylamino)butanoate
CID 64578319
ethyl 3-anilinopropanoate
CID 10910393
ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate
CID 64589745
ethyl 3-[(2-chloroquinazolin-4-yl)amino]propanoate
CID 62477868
N-(2-iodoethyl)quinoxalin-2-amine
CID 163768527
ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate
CID 80816426
ethyl quinoxaline-2-carboxylate
CID 582701
methyl 3-(quinolin-2-ylamino)propanoate
CID 60632060

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(quinoxalin-2-ylamino)propanoate?
The IUPAC name of ethyl 3-(quinoxalin-2-ylamino)propanoate (CID 47439650) is ethyl 3-(quinoxalin-2-ylamino)propanoate.
What is the SMILES notation for ethyl 3-(quinoxalin-2-ylamino)propanoate?
The canonical SMILES for ethyl 3-(quinoxalin-2-ylamino)propanoate is CCOC(=O)CCNc1cnc2ccccc2n1.
What is the InChIKey of ethyl 3-(quinoxalin-2-ylamino)propanoate?
The InChIKey is OZPVOGYVRQPXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-18-13(17)7-8-14-12-9-15-10-5-3-4-6-11(10)16-12/h3-6,9H,2,7-8H2,1H3,(H,14,16).
What are the key properties of ethyl 3-(quinoxalin-2-ylamino)propanoate?
ethyl 3-(quinoxalin-2-ylamino)propanoate has a molecular weight of 245.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(quinoxalin-2-ylamino)propanoate is sourced from PubChem (CID 47439650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).