N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

C15H20N4O2 — CID 104615150

IUPACN-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESO=C(CCNC(=O)c1cccc2c1NCCN2)NC1CC1
InChIInChI=1S/C15H20N4O2/c20-13(19-10-4-5-10)6-7-18-15(21)11-2-1-3-12-14(11)17-9-8-16-12/h1-3,10,16-17H,4-9H2,(H,18,21)(H,19,20)
InChIKeyGWJXBPGMZOPDEK-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.92
Rot. Bonds5

About N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (PubChem CID 104615150) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
PubChem CID104615150
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESO=C(CCNC(=O)c1cccc2c1NCCN2)NC1CC1
InChIInChI=1S/C15H20N4O2/c20-13(19-10-4-5-10)6-7-18-15(21)11-2-1-3-12-14(11)17-9-8-16-12/h1-3,10,16-17H,4-9H2,(H,18,21)(H,19,20)
InChIKeyGWJXBPGMZOPDEK-UHFFFAOYSA-N
XLogP0.92
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614463
N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614467
N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614369
N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106339568
2-(1,2,3,4-tetrahydroquinoxaline-5-carbonylamino)ethyl carbamate
CID 104615253
N-[3-(cyclopropylamino)-3-oxopropyl]-1H-indole-7-carboxamide
CID 79396451
3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide
CID 79401552
N-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106339594
N-[2-(cyclopropylamino)-2-oxoethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62212757
N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615050
N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614955
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615046

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (CID 104615150) is N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The canonical SMILES for N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is O=C(CCNC(=O)c1cccc2c1NCCN2)NC1CC1.
What is the InChIKey of N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The InChIKey is GWJXBPGMZOPDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-13(19-10-4-5-10)6-7-18-15(21)11-2-1-3-12-14(11)17-9-8-16-12/h1-3,10,16-17H,4-9H2,(H,18,21)(H,19,20).
What are the key properties of N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.92, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is sourced from PubChem (CID 104615150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).