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

C13H13N3O2S — CID 106921598

IUPAC6-amino-7-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1coc(Sc2cc3c(cc2N)CCC(=O)N3)n1
InChIInChI=1S/C13H13N3O2S/c1-7-6-18-13(15-7)19-11-5-10-8(4-9(11)14)2-3-12(17)16-10/h4-6H,2-3,14H2,1H3,(H,16,17)
InChIKeyHOTMHJCEZAQFJC-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.60
Rot. Bonds2

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

6-amino-7-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 106921598) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 6-amino-7-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID106921598
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name6-amino-7-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1coc(Sc2cc3c(cc2N)CCC(=O)N3)n1
InChIInChI=1S/C13H13N3O2S/c1-7-6-18-13(15-7)19-11-5-10-8(4-9(11)14)2-3-12(17)16-10/h4-6H,2-3,14H2,1H3,(H,16,17)
InChIKeyHOTMHJCEZAQFJC-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'}

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

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Related Compounds

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
5-Amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106921726
6-amino-7-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one
CID 106921747
5-Amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 113893354

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one (CID 106921598) is 6-amino-7-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one is Cc1coc(Sc2cc3c(cc2N)CCC(=O)N3)n1.
What is the InChIKey of 6-amino-7-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HOTMHJCEZAQFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-7-6-18-13(15-7)19-11-5-10-8(4-9(11)14)2-3-12(17)16-10/h4-6H,2-3,14H2,1H3,(H,16,17).
What are the key properties of 6-amino-7-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-[(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 6-amino-7-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 106921598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).