tert-butyl 2-(4-methyl-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate

C16H21NO4 — CID 129084521

IUPACtert-butyl 2-(4-methyl-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate
SMILESCc1cc(=O)n(CC(=O)OC(C)(C)C)c2c1C(=O)CCC2
InChIInChI=1S/C16H21NO4/c1-10-8-13(19)17(9-14(20)21-16(2,3)4)11-6-5-7-12(18)15(10)11/h8H,5-7,9H2,1-4H3
InChIKeyLTTFCLSXHJIJAY-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.02
Rot. Bonds2

About tert-butyl 2-(4-methyl-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate

tert-butyl 2-(4-methyl-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate (PubChem CID 129084521) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is tert-butyl 2-(4-methyl-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(4-methyl-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate
PubChem CID129084521
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Nametert-butyl 2-(4-methyl-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate
SMILESCc1cc(=O)n(CC(=O)OC(C)(C)C)c2c1C(=O)CCC2
InChIInChI=1S/C16H21NO4/c1-10-8-13(19)17(9-14(20)21-16(2,3)4)11-6-5-7-12(18)15(10)11/h8H,5-7,9H2,1-4H3
InChIKeyLTTFCLSXHJIJAY-UHFFFAOYSA-N
XLogP2.02
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-methyl-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate?
The IUPAC name of tert-butyl 2-(4-methyl-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate (CID 129084521) is tert-butyl 2-(4-methyl-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(4-methyl-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(4-methyl-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate is Cc1cc(=O)n(CC(=O)OC(C)(C)C)c2c1C(=O)CCC2.
What is the InChIKey of tert-butyl 2-(4-methyl-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate?
The InChIKey is LTTFCLSXHJIJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10-8-13(19)17(9-14(20)21-16(2,3)4)11-6-5-7-12(18)15(10)11/h8H,5-7,9H2,1-4H3.
What are the key properties of tert-butyl 2-(4-methyl-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate?
tert-butyl 2-(4-methyl-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate has a molecular weight of 291.35 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-methyl-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate is sourced from PubChem (CID 129084521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).