6-amino-7-(1,2,4-oxadiazol-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one

C12H13N5O2 — CID 106393294

IUPAC6-amino-7-(1,2,4-oxadiazol-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1NCc1ncon1)NC(=O)CC2
InChIInChI=1S/C12H13N5O2/c13-8-3-7-1-2-12(18)16-9(7)4-10(8)14-5-11-15-6-19-17-11/h3-4,6,14H,1-2,5,13H2,(H,16,18)
InChIKeyOOUDZFYDWKESSJ-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.15
Rot. Bonds3

About 6-amino-7-(1,2,4-oxadiazol-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one

6-amino-7-(1,2,4-oxadiazol-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 106393294) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 6-amino-7-(1,2,4-oxadiazol-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-(1,2,4-oxadiazol-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID106393294
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name6-amino-7-(1,2,4-oxadiazol-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1NCc1ncon1)NC(=O)CC2
InChIInChI=1S/C12H13N5O2/c13-8-3-7-1-2-12(18)16-9(7)4-10(8)14-5-11-15-6-19-17-11/h3-4,6,14H,1-2,5,13H2,(H,16,18)
InChIKeyOOUDZFYDWKESSJ-UHFFFAOYSA-N
XLogP1.15
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-7-(1,2,4-oxadiazol-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516
6-amino-7-(2-methylpropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455514
7-amino-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 106369694
6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 102903606
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide
CID 43383610
7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43449799
N-[2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]methanesulfonamide
CID 43545918
6-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43455538
6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43498917
6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 106140613
6-amino-7-[(2-methyl-3-methylsulfanylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 63982484
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-cyclopropylacetamide
CID 43568180

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(1,2,4-oxadiazol-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-(1,2,4-oxadiazol-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one (CID 106393294) is 6-amino-7-(1,2,4-oxadiazol-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-(1,2,4-oxadiazol-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-(1,2,4-oxadiazol-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1NCc1ncon1)NC(=O)CC2.
What is the InChIKey of 6-amino-7-(1,2,4-oxadiazol-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OOUDZFYDWKESSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c13-8-3-7-1-2-12(18)16-9(7)4-10(8)14-5-11-15-6-19-17-11/h3-4,6,14H,1-2,5,13H2,(H,16,18).
What are the key properties of 6-amino-7-(1,2,4-oxadiazol-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-(1,2,4-oxadiazol-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 259.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(1,2,4-oxadiazol-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 106393294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).