N-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide

C17H22N2O2 — CID 100744049

IUPACN-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide
SMILESCc1cc(C)c2c(=O)ccn(CC(=O)NC(C)(C)C)c2c1
InChIInChI=1S/C17H22N2O2/c1-11-8-12(2)16-13(9-11)19(7-6-14(16)20)10-15(21)18-17(3,4)5/h6-9H,10H2,1-5H3,(H,18,21)
InChIKeyUVZHKCOPOGRUES-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.53
Rot. Bonds2

About N-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide

N-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide (PubChem CID 100744049) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide
PubChem CID100744049
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide
SMILESCc1cc(C)c2c(=O)ccn(CC(=O)NC(C)(C)C)c2c1
InChIInChI=1S/C17H22N2O2/c1-11-8-12(2)16-13(9-11)19(7-6-14(16)20)10-15(21)18-17(3,4)5/h6-9H,10H2,1-5H3,(H,18,21)
InChIKeyUVZHKCOPOGRUES-UHFFFAOYSA-N
XLogP2.53
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide (CID 100744049) is N-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide is Cc1cc(C)c2c(=O)ccn(CC(=O)NC(C)(C)C)c2c1.
What is the InChIKey of N-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide?
The InChIKey is UVZHKCOPOGRUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-8-12(2)16-13(9-11)19(7-6-14(16)20)10-15(21)18-17(3,4)5/h6-9H,10H2,1-5H3,(H,18,21).
What are the key properties of N-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide?
N-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 100744049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).