6-amino-7-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one

C12H11N3O2S — CID 106921438

IUPAC6-amino-7-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Sc1ncco1)NC(=O)CC2
InChIInChI=1S/C12H11N3O2S/c13-8-5-7-1-2-11(16)15-9(7)6-10(8)18-12-14-3-4-17-12/h3-6H,1-2,13H2,(H,15,16)
InChIKeyWGHSTFHGQUTBQL-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.29
Rot. Bonds2

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

6-amino-7-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 106921438) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 6-amino-7-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID106921438
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name6-amino-7-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Sc1ncco1)NC(=O)CC2
InChIInChI=1S/C12H11N3O2S/c13-8-5-7-1-2-11(16)15-9(7)6-10(8)18-12-14-3-4-17-12/h3-6H,1-2,13H2,(H,15,16)
InChIKeyWGHSTFHGQUTBQL-UHFFFAOYSA-N
XLogP2.29
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

7-amino-6-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one
CID 106921304
3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921381
5-Amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106921415
6-amino-7-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one
CID 106921598
6-amino-7-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one
CID 106921747
3-(Methylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923088
6-(1,3-Oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
CID 106923089
3-(Ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923105
3-amino-N-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 113893328
3-Amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 113893583
6-amino-7-(1,3-oxazol-2-ylsulfanyl)-3H-quinazolin-4-one
CID 136965553

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one (CID 106921438) is 6-amino-7-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1Sc1ncco1)NC(=O)CC2.
What is the InChIKey of 6-amino-7-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WGHSTFHGQUTBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c13-8-5-7-1-2-11(16)15-9(7)6-10(8)18-12-14-3-4-17-12/h3-6H,1-2,13H2,(H,15,16).
What are the key properties of 6-amino-7-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 261.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 106921438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).