7-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one

C14H15N3O2S — CID 106921618

IUPAC7-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nc(Sc2cc3c(cc2N)NC(=O)CC3)oc1C
InChIInChI=1S/C14H15N3O2S/c1-7-8(2)19-14(16-7)20-12-5-9-3-4-13(18)17-11(9)6-10(12)15/h5-6H,3-4,15H2,1-2H3,(H,17,18)
InChIKeyCANURBFXHVPLOB-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.91
Rot. Bonds2

About 7-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one

7-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 106921618) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 7-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID106921618
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name7-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nc(Sc2cc3c(cc2N)NC(=O)CC3)oc1C
InChIInChI=1S/C14H15N3O2S/c1-7-8(2)19-14(16-7)20-12-5-9-3-4-13(18)17-11(9)6-10(12)15/h5-6H,3-4,15H2,1-2H3,(H,17,18)
InChIKeyCANURBFXHVPLOB-UHFFFAOYSA-N
XLogP2.91
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]-2-methylsulfanylphenyl]acetamide
CID 55868853
7-amino-6-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one
CID 106921304
7-amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one
CID 106921462
6-amino-7-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one
CID 106921598
4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylbenzamide
CID 106921624
4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide
CID 106921684
4-Amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 106921701
6-amino-7-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one
CID 106921747

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one (CID 106921618) is 7-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one is Cc1nc(Sc2cc3c(cc2N)NC(=O)CC3)oc1C.
What is the InChIKey of 7-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CANURBFXHVPLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-7-8(2)19-14(16-7)20-12-5-9-3-4-13(18)17-11(9)6-10(12)15/h5-6H,3-4,15H2,1-2H3,(H,17,18).
What are the key properties of 7-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 289.36 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 106921618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).