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

C12H11N3O2S — CID 106921304

IUPAC7-amino-6-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Sc1ncco1)CCC(=O)N2
InChIInChI=1S/C12H11N3O2S/c13-8-6-9-7(1-2-11(16)15-9)5-10(8)18-12-14-3-4-17-12/h3-6H,1-2,13H2,(H,15,16)
InChIKeySDGHIAFXHNTHAP-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.29
Rot. Bonds2

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

7-amino-6-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 106921304) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 7-amino-6-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID106921304
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name7-amino-6-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Sc1ncco1)CCC(=O)N2
InChIInChI=1S/C12H11N3O2S/c13-8-6-9-7(1-2-11(16)15-9)5-10(8)18-12-14-3-4-17-12/h3-6H,1-2,13H2,(H,15,16)
InChIKeySDGHIAFXHNTHAP-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 7-amino-6-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

8-(1,3-Oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921350
6-(1,3-Oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921371
4-Amino-3-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921393
4-amino-N,N-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921402
6-amino-7-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one
CID 106921438
7-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one
CID 106921462
7-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one
CID 106921618
N-(5-amino-2-methylphenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 106921850
N-(5-amino-2-methylphenyl)-4-(1,3-oxazol-2-ylsulfanyl)butanamide
CID 106921912
4-amino-N-methyl-3-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 113893312
4-amino-N-ethyl-3-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 113893321

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one (CID 106921304) is 7-amino-6-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1Sc1ncco1)CCC(=O)N2.
What is the InChIKey of 7-amino-6-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SDGHIAFXHNTHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c13-8-6-9-7(1-2-11(16)15-9)5-10(8)18-12-14-3-4-17-12/h3-6H,1-2,13H2,(H,15,16).
What are the key properties of 7-amino-6-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-(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 7-amino-6-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 106921304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).