7-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one

C13H13N3O2S — CID 106921462

IUPAC7-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1coc(Sc2cc3c(cc2N)NC(=O)CC3)n1
InChIInChI=1S/C13H13N3O2S/c1-7-6-18-13(15-7)19-11-4-8-2-3-12(17)16-10(8)5-9(11)14/h4-6H,2-3,14H2,1H3,(H,16,17)
InChIKeyJCGGTBUWNOZFJA-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.60
Rot. Bonds2

About 7-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one

7-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 106921462) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 7-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID106921462
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name7-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1coc(Sc2cc3c(cc2N)NC(=O)CC3)n1
InChIInChI=1S/C13H13N3O2S/c1-7-6-18-13(15-7)19-11-4-8-2-3-12(17)16-10(8)5-9(11)14/h4-6H,2-3,14H2,1H3,(H,16,17)
InChIKeyJCGGTBUWNOZFJA-UHFFFAOYSA-N
XLogP2.60
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-amino-6-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one
CID 106921304
6-amino-7-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one
CID 106921598
7-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one
CID 106921618
6-amino-7-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one
CID 106921747
N-(5-amino-2-methylphenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide
CID 106922113

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one (CID 106921462) is 7-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one is Cc1coc(Sc2cc3c(cc2N)NC(=O)CC3)n1.
What is the InChIKey of 7-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JCGGTBUWNOZFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-7-6-18-13(15-7)19-11-4-8-2-3-12(17)16-10(8)5-9(11)14/h4-6H,2-3,14H2,1H3,(H,16,17).
What are the key properties of 7-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 275.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 106921462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).