6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one

C13H14N4O2 — CID 82483370

IUPAC6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESNCCc1nnc(-c2ccc3c(c2)CCC(=O)N3)o1
InChIInChI=1S/C13H14N4O2/c14-6-5-12-16-17-13(19-12)9-1-3-10-8(7-9)2-4-11(18)15-10/h1,3,7H,2,4-6,14H2,(H,15,18)
InChIKeyQJXGDZOESINEEP-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.12
Rot. Bonds3

About 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one

6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82483370) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID82483370
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESNCCc1nnc(-c2ccc3c(c2)CCC(=O)N3)o1
InChIInChI=1S/C13H14N4O2/c14-6-5-12-16-17-13(19-12)9-1-3-10-8(7-9)2-4-11(18)15-10/h1,3,7H,2,4-6,14H2,(H,15,18)
InChIKeyQJXGDZOESINEEP-UHFFFAOYSA-N
XLogP1.12
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[2-(2-aminoethyl)-5-bromo-1H-imidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 84610358
2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62071982
6-(2-amino-4-ethyl-1,3-oxazol-5-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116832062
2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071467
6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 82293410
7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82190756
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile
CID 116889922
5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile
CID 116858528
6-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 156522207
3-[5-(3-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 107952621
6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116838540
6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82478582

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one (CID 82483370) is 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one is NCCc1nnc(-c2ccc3c(c2)CCC(=O)N3)o1.
What is the InChIKey of 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QJXGDZOESINEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-6-5-12-16-17-13(19-12)9-1-3-10-8(7-9)2-4-11(18)15-10/h1,3,7H,2,4-6,14H2,(H,15,18).
What are the key properties of 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 258.28 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82483370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).