5-tert-butyl-1-propan-2-yl-3,4-dihydroquinolin-2-one

C16H23NO — CID 170270915

IUPAC5-tert-butyl-1-propan-2-yl-3,4-dihydroquinolin-2-one
SMILESCC(C)N1C(=O)CCc2c1cccc2C(C)(C)C
InChIInChI=1S/C16H23NO/c1-11(2)17-14-8-6-7-13(16(3,4)5)12(14)9-10-15(17)18/h6-8,11H,9-10H2,1-5H3
InChIKeyASCFPXXKUHSWFG-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.67
Rot. Bonds1

About 5-tert-butyl-1-propan-2-yl-3,4-dihydroquinolin-2-one

5-tert-butyl-1-propan-2-yl-3,4-dihydroquinolin-2-one (PubChem CID 170270915) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-tert-butyl-1-propan-2-yl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5-tert-butyl-1-propan-2-yl-3,4-dihydroquinolin-2-one
PubChem CID170270915
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name5-tert-butyl-1-propan-2-yl-3,4-dihydroquinolin-2-one
SMILESCC(C)N1C(=O)CCc2c1cccc2C(C)(C)C
InChIInChI=1S/C16H23NO/c1-11(2)17-14-8-6-7-13(16(3,4)5)12(14)9-10-15(17)18/h6-8,11H,9-10H2,1-5H3
InChIKeyASCFPXXKUHSWFG-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-propan-2-yl-3,4-dihydroquinolin-2-one?
The IUPAC name of 5-tert-butyl-1-propan-2-yl-3,4-dihydroquinolin-2-one (CID 170270915) is 5-tert-butyl-1-propan-2-yl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 5-tert-butyl-1-propan-2-yl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 5-tert-butyl-1-propan-2-yl-3,4-dihydroquinolin-2-one is CC(C)N1C(=O)CCc2c1cccc2C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1-propan-2-yl-3,4-dihydroquinolin-2-one?
The InChIKey is ASCFPXXKUHSWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11(2)17-14-8-6-7-13(16(3,4)5)12(14)9-10-15(17)18/h6-8,11H,9-10H2,1-5H3.
What are the key properties of 5-tert-butyl-1-propan-2-yl-3,4-dihydroquinolin-2-one?
5-tert-butyl-1-propan-2-yl-3,4-dihydroquinolin-2-one has a molecular weight of 245.37 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-propan-2-yl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 170270915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).