(6-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate

C16H19NO3 — CID 1399918

IUPAC(6-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate
SMILESCc1ccc2[nH]c(=O)c(COC(=O)C(C)(C)C)cc2c1
InChIInChI=1S/C16H19NO3/c1-10-5-6-13-11(7-10)8-12(14(18)17-13)9-20-15(19)16(2,3)4/h5-8H,9H2,1-4H3,(H,17,18)
InChIKeyLQCXNQGTRFCEHC-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.93
Rot. Bonds2

About (6-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate

(6-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate (PubChem CID 1399918) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (6-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(6-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate
PubChem CID1399918
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(6-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate
SMILESCc1ccc2[nH]c(=O)c(COC(=O)C(C)(C)C)cc2c1
InChIInChI=1S/C16H19NO3/c1-10-5-6-13-11(7-10)8-12(14(18)17-13)9-20-15(19)16(2,3)4/h5-8H,9H2,1-4H3,(H,17,18)
InChIKeyLQCXNQGTRFCEHC-UHFFFAOYSA-N
XLogP2.93
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (6-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate (CID 1399918) is (6-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (6-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (6-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate is Cc1ccc2[nH]c(=O)c(COC(=O)C(C)(C)C)cc2c1.
What is the InChIKey of (6-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is LQCXNQGTRFCEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10-5-6-13-11(7-10)8-12(14(18)17-13)9-20-15(19)16(2,3)4/h5-8H,9H2,1-4H3,(H,17,18).
What are the key properties of (6-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate?
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 273.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-oxo-1H-quinolin-3-yl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 1399918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).