tert-butyl 2-[(4R)-1,6,8-trimethyl-2-oxo-3,4-dihydroquinolin-4-yl]acetate

C18H25NO3 — CID 102523398

IUPACtert-butyl 2-[(4R)-1,6,8-trimethyl-2-oxo-3,4-dihydroquinolin-4-yl]acetate
SMILESCc1cc(C)c2c(c1)[C@@H](CC(=O)OC(C)(C)C)CC(=O)N2C
InChIInChI=1S/C18H25NO3/c1-11-7-12(2)17-14(8-11)13(9-15(20)19(17)6)10-16(21)22-18(3,4)5/h7-8,13H,9-10H2,1-6H3/t13-/m1/s1
InChIKeyHCSLCZZOFKTQDK-CYBMUJFWSA-N
MW303.40 g/mol
LogP3.49
Rot. Bonds2

About tert-butyl 2-[(4R)-1,6,8-trimethyl-2-oxo-3,4-dihydroquinolin-4-yl]acetate

tert-butyl 2-[(4R)-1,6,8-trimethyl-2-oxo-3,4-dihydroquinolin-4-yl]acetate (PubChem CID 102523398) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl 2-[(4R)-1,6,8-trimethyl-2-oxo-3,4-dihydroquinolin-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4R)-1,6,8-trimethyl-2-oxo-3,4-dihydroquinolin-4-yl]acetate
PubChem CID102523398
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nametert-butyl 2-[(4R)-1,6,8-trimethyl-2-oxo-3,4-dihydroquinolin-4-yl]acetate
SMILESCc1cc(C)c2c(c1)[C@@H](CC(=O)OC(C)(C)C)CC(=O)N2C
InChIInChI=1S/C18H25NO3/c1-11-7-12(2)17-14(8-11)13(9-15(20)19(17)6)10-16(21)22-18(3,4)5/h7-8,13H,9-10H2,1-6H3/t13-/m1/s1
InChIKeyHCSLCZZOFKTQDK-CYBMUJFWSA-N
XLogP3.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4R)-1,6,8-trimethyl-2-oxo-3,4-dihydroquinolin-4-yl]acetate?
The IUPAC name of tert-butyl 2-[(4R)-1,6,8-trimethyl-2-oxo-3,4-dihydroquinolin-4-yl]acetate (CID 102523398) is tert-butyl 2-[(4R)-1,6,8-trimethyl-2-oxo-3,4-dihydroquinolin-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(4R)-1,6,8-trimethyl-2-oxo-3,4-dihydroquinolin-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[(4R)-1,6,8-trimethyl-2-oxo-3,4-dihydroquinolin-4-yl]acetate is Cc1cc(C)c2c(c1)[C@@H](CC(=O)OC(C)(C)C)CC(=O)N2C.
What is the InChIKey of tert-butyl 2-[(4R)-1,6,8-trimethyl-2-oxo-3,4-dihydroquinolin-4-yl]acetate?
The InChIKey is HCSLCZZOFKTQDK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25NO3/c1-11-7-12(2)17-14(8-11)13(9-15(20)19(17)6)10-16(21)22-18(3,4)5/h7-8,13H,9-10H2,1-6H3/t13-/m1/s1.
What are the key properties of tert-butyl 2-[(4R)-1,6,8-trimethyl-2-oxo-3,4-dihydroquinolin-4-yl]acetate?
tert-butyl 2-[(4R)-1,6,8-trimethyl-2-oxo-3,4-dihydroquinolin-4-yl]acetate has a molecular weight of 303.40 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4R)-1,6,8-trimethyl-2-oxo-3,4-dihydroquinolin-4-yl]acetate is sourced from PubChem (CID 102523398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).