N-[3-(ethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

C14H20N4O2 — CID 107356351

IUPACN-[3-(ethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCCNC(=O)CCNC(=O)C1CNc2ccccc2N1
InChIInChI=1S/C14H20N4O2/c1-2-15-13(19)7-8-16-14(20)12-9-17-10-5-3-4-6-11(10)18-12/h3-6,12,17-18H,2,7-9H2,1H3,(H,15,19)(H,16,20)
InChIKeyQPIGOBXFMVEHSU-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.54
Rot. Bonds5

About N-[3-(ethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

N-[3-(ethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (PubChem CID 107356351) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[3-(ethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
PubChem CID107356351
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[3-(ethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCCNC(=O)CCNC(=O)C1CNc2ccccc2N1
InChIInChI=1S/C14H20N4O2/c1-2-15-13(19)7-8-16-14(20)12-9-17-10-5-3-4-6-11(10)18-12/h3-6,12,17-18H,2,7-9H2,1H3,(H,15,19)(H,16,20)
InChIKeyQPIGOBXFMVEHSU-UHFFFAOYSA-N
XLogP0.54
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The IUPAC name of N-[3-(ethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (CID 107356351) is N-[3-(ethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.
What is the SMILES notation for N-[3-(ethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The canonical SMILES for N-[3-(ethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is CCNC(=O)CCNC(=O)C1CNc2ccccc2N1.
What is the InChIKey of N-[3-(ethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The InChIKey is QPIGOBXFMVEHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-15-13(19)7-8-16-14(20)12-9-17-10-5-3-4-6-11(10)18-12/h3-6,12,17-18H,2,7-9H2,1H3,(H,15,19)(H,16,20).
What are the key properties of N-[3-(ethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
N-[3-(ethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.54, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is sourced from PubChem (CID 107356351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).