2-tert-butyl-6-propoxy-1H-quinolin-4-one

C16H21NO2 — CID 55059882

IUPAC2-tert-butyl-6-propoxy-1H-quinolin-4-one
SMILESCCCOc1ccc2[nH]c(C(C)(C)C)cc(=O)c2c1
InChIInChI=1S/C16H21NO2/c1-5-8-19-11-6-7-13-12(9-11)14(18)10-15(17-13)16(2,3)4/h6-7,9-10H,5,8H2,1-4H3,(H,17,18)
InChIKeyUVITWUADYQXXTG-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.61
Rot. Bonds3

About 2-tert-butyl-6-propoxy-1H-quinolin-4-one

2-tert-butyl-6-propoxy-1H-quinolin-4-one (PubChem CID 55059882) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-tert-butyl-6-propoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name2-tert-butyl-6-propoxy-1H-quinolin-4-one
PubChem CID55059882
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-tert-butyl-6-propoxy-1H-quinolin-4-one
SMILESCCCOc1ccc2[nH]c(C(C)(C)C)cc(=O)c2c1
InChIInChI=1S/C16H21NO2/c1-5-8-19-11-6-7-13-12(9-11)14(18)10-15(17-13)16(2,3)4/h6-7,9-10H,5,8H2,1-4H3,(H,17,18)
InChIKeyUVITWUADYQXXTG-UHFFFAOYSA-N
XLogP3.61
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethoxy-2-ethyl-1H-quinolin-4-one
CID 43668050
3-bromo-6-propoxy-1H-quinolin-4-one
CID 114759446
propyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 7109613
2,7-bis[2-(propylamino)ethoxy]-10H-acridin-9-one
CID 57439648
2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one
CID 57439654
2,7-diethoxy-10H-acridin-9-one
CID 163923657
2-octoxy-10H-acridin-9-one
CID 611041
3,3-dimethyl-1-(5-propoxy-1H-indol-3-yl)butan-1-one
CID 80642952
5-propoxy-1,3-dihydrobenzimidazole-2-thione
CID 14902017
6-(diethylamino)-2-(trifluoromethyl)-1H-quinolin-4-one
CID 63180257
2,7-bis[2-(dimethylamino)ethoxy]-10H-acridin-9-one
CID 57439652
6-butoxy-2-methyl-4-oxo-1H-quinoline-3-carbonitrile
CID 82245502

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-propoxy-1H-quinolin-4-one?
The IUPAC name of 2-tert-butyl-6-propoxy-1H-quinolin-4-one (CID 55059882) is 2-tert-butyl-6-propoxy-1H-quinolin-4-one.
What is the SMILES notation for 2-tert-butyl-6-propoxy-1H-quinolin-4-one?
The canonical SMILES for 2-tert-butyl-6-propoxy-1H-quinolin-4-one is CCCOc1ccc2[nH]c(C(C)(C)C)cc(=O)c2c1.
What is the InChIKey of 2-tert-butyl-6-propoxy-1H-quinolin-4-one?
The InChIKey is UVITWUADYQXXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-5-8-19-11-6-7-13-12(9-11)14(18)10-15(17-13)16(2,3)4/h6-7,9-10H,5,8H2,1-4H3,(H,17,18).
What are the key properties of 2-tert-butyl-6-propoxy-1H-quinolin-4-one?
2-tert-butyl-6-propoxy-1H-quinolin-4-one has a molecular weight of 259.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-propoxy-1H-quinolin-4-one is sourced from PubChem (CID 55059882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).