4-[6-(1-aminoethyl)-3-pyridinyl]-1,3-dihydroquinoxalin-2-one

C15H16N4O — CID 83121972

IUPAC4-[6-(1-aminoethyl)-3-pyridinyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(N)c1ccc(N2CC(=O)Nc3ccccc32)cn1
InChIInChI=1S/C15H16N4O/c1-10(16)12-7-6-11(8-17-12)19-9-15(20)18-13-4-2-3-5-14(13)19/h2-8,10H,9,16H2,1H3,(H,18,20)
InChIKeySWMVKCBDMXGHEH-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.19
Rot. Bonds2

About 4-[6-(1-aminoethyl)-3-pyridinyl]-1,3-dihydroquinoxalin-2-one

4-[6-(1-aminoethyl)-3-pyridinyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 83121972) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[6-(1-aminoethyl)-3-pyridinyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[6-(1-aminoethyl)-3-pyridinyl]-1,3-dihydroquinoxalin-2-one
PubChem CID83121972
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-[6-(1-aminoethyl)-3-pyridinyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(N)c1ccc(N2CC(=O)Nc3ccccc32)cn1
InChIInChI=1S/C15H16N4O/c1-10(16)12-7-6-11(8-17-12)19-9-15(20)18-13-4-2-3-5-14(13)19/h2-8,10H,9,16H2,1H3,(H,18,20)
InChIKeySWMVKCBDMXGHEH-UHFFFAOYSA-N
XLogP2.19
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one
CID 115938928
4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]-3-methylpiperazine-2,6-dione
CID 83126993
4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 117006597
4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde
CID 28822379
1-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-5-one
CID 83127452
4-(3-amino-5-ethoxyphenyl)-1,3-dihydroquinoxalin-2-one
CID 80726419
4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
CID 80750407
4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one
CID 61228469
4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one
CID 15894106
4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one
CID 117030686
4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-1,3-dihydroquinoxalin-2-one
CID 106959167
6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile
CID 28822352

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-aminoethyl)-3-pyridinyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[6-(1-aminoethyl)-3-pyridinyl]-1,3-dihydroquinoxalin-2-one (CID 83121972) is 4-[6-(1-aminoethyl)-3-pyridinyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[6-(1-aminoethyl)-3-pyridinyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[6-(1-aminoethyl)-3-pyridinyl]-1,3-dihydroquinoxalin-2-one is CC(N)c1ccc(N2CC(=O)Nc3ccccc32)cn1.
What is the InChIKey of 4-[6-(1-aminoethyl)-3-pyridinyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is SWMVKCBDMXGHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10(16)12-7-6-11(8-17-12)19-9-15(20)18-13-4-2-3-5-14(13)19/h2-8,10H,9,16H2,1H3,(H,18,20).
What are the key properties of 4-[6-(1-aminoethyl)-3-pyridinyl]-1,3-dihydroquinoxalin-2-one?
4-[6-(1-aminoethyl)-3-pyridinyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-aminoethyl)-3-pyridinyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 83121972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).