7,7-dimethyl-2-(4-methyl-1,3-oxazol-2-yl)-6,8-dihydroquinolin-5-one

C15H16N2O2 — CID 71002635

IUPAC7,7-dimethyl-2-(4-methyl-1,3-oxazol-2-yl)-6,8-dihydroquinolin-5-one
SMILESCc1coc(-c2ccc3c(n2)CC(C)(C)CC3=O)n1
InChIInChI=1S/C15H16N2O2/c1-9-8-19-14(16-9)11-5-4-10-12(17-11)6-15(2,3)7-13(10)18/h4-5,8H,6-7H2,1-3H3
InChIKeyHHLAQOMCNGEVPP-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.20
Rot. Bonds1

About 7,7-dimethyl-2-(4-methyl-1,3-oxazol-2-yl)-6,8-dihydroquinolin-5-one

7,7-dimethyl-2-(4-methyl-1,3-oxazol-2-yl)-6,8-dihydroquinolin-5-one (PubChem CID 71002635) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 7,7-dimethyl-2-(4-methyl-1,3-oxazol-2-yl)-6,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-2-(4-methyl-1,3-oxazol-2-yl)-6,8-dihydroquinolin-5-one
PubChem CID71002635
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name7,7-dimethyl-2-(4-methyl-1,3-oxazol-2-yl)-6,8-dihydroquinolin-5-one
SMILESCc1coc(-c2ccc3c(n2)CC(C)(C)CC3=O)n1
InChIInChI=1S/C15H16N2O2/c1-9-8-19-14(16-9)11-5-4-10-12(17-11)6-15(2,3)7-13(10)18/h4-5,8H,6-7H2,1-3H3
InChIKeyHHLAQOMCNGEVPP-UHFFFAOYSA-N
XLogP3.20
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(4-methyl-1,3-oxazol-2-yl)-6,8-dihydroquinolin-5-one?
The IUPAC name of 7,7-dimethyl-2-(4-methyl-1,3-oxazol-2-yl)-6,8-dihydroquinolin-5-one (CID 71002635) is 7,7-dimethyl-2-(4-methyl-1,3-oxazol-2-yl)-6,8-dihydroquinolin-5-one.
What is the SMILES notation for 7,7-dimethyl-2-(4-methyl-1,3-oxazol-2-yl)-6,8-dihydroquinolin-5-one?
The canonical SMILES for 7,7-dimethyl-2-(4-methyl-1,3-oxazol-2-yl)-6,8-dihydroquinolin-5-one is Cc1coc(-c2ccc3c(n2)CC(C)(C)CC3=O)n1.
What is the InChIKey of 7,7-dimethyl-2-(4-methyl-1,3-oxazol-2-yl)-6,8-dihydroquinolin-5-one?
The InChIKey is HHLAQOMCNGEVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-8-19-14(16-9)11-5-4-10-12(17-11)6-15(2,3)7-13(10)18/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 7,7-dimethyl-2-(4-methyl-1,3-oxazol-2-yl)-6,8-dihydroquinolin-5-one?
7,7-dimethyl-2-(4-methyl-1,3-oxazol-2-yl)-6,8-dihydroquinolin-5-one has a molecular weight of 256.30 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(4-methyl-1,3-oxazol-2-yl)-6,8-dihydroquinolin-5-one is sourced from PubChem (CID 71002635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).