6,7-diethoxy-2-propan-2-yl-1H-quinolin-4-one

C16H21NO3 — CID 43667984

IUPAC6,7-diethoxy-2-propan-2-yl-1H-quinolin-4-one
SMILESCCOc1cc2[nH]c(C(C)C)cc(=O)c2cc1OCC
InChIInChI=1S/C16H21NO3/c1-5-19-15-7-11-13(9-16(15)20-6-2)17-12(10(3)4)8-14(11)18/h7-10H,5-6H2,1-4H3,(H,17,18)
InChIKeyLOXUECGISFBFMY-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.45
Rot. Bonds5

About 6,7-diethoxy-2-propan-2-yl-1H-quinolin-4-one

6,7-diethoxy-2-propan-2-yl-1H-quinolin-4-one (PubChem CID 43667984) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6,7-diethoxy-2-propan-2-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name6,7-diethoxy-2-propan-2-yl-1H-quinolin-4-one
PubChem CID43667984
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name6,7-diethoxy-2-propan-2-yl-1H-quinolin-4-one
SMILESCCOc1cc2[nH]c(C(C)C)cc(=O)c2cc1OCC
InChIInChI=1S/C16H21NO3/c1-5-19-15-7-11-13(9-16(15)20-6-2)17-12(10(3)4)8-14(11)18/h7-10H,5-6H2,1-4H3,(H,17,18)
InChIKeyLOXUECGISFBFMY-UHFFFAOYSA-N
XLogP3.45
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-diethoxy-3-(3-methylbutyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 5044544
6,7-diethoxy-2-ethyl-1H-quinazoline-4-thione
CID 106505560
3-bromo-6,7-diethoxy-1H-quinolin-4-one
CID 114759296
5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole
CID 171731898
8-ethyl-2-propan-2-yl-1H-quinolin-4-one
CID 43668106
6,7-diethoxy-3-iodo-1H-quinolin-4-one
CID 102614933
8-methoxy-2-propan-2-yl-1H-quinolin-4-one
CID 43667995
6,7-diethoxy-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 3243613
6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one
CID 167049049
6,7-diethoxy-3-(oxolan-2-ylmethyl)-1H-quinazoline-2,4-dione
CID 4298608
6,7-dimethoxy-2-methyl-1H-quinolin-4-one;hydrochloride
CID 91665124
3-[(4-chlorophenyl)methyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one
CID 3261614

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-2-propan-2-yl-1H-quinolin-4-one?
The IUPAC name of 6,7-diethoxy-2-propan-2-yl-1H-quinolin-4-one (CID 43667984) is 6,7-diethoxy-2-propan-2-yl-1H-quinolin-4-one.
What is the SMILES notation for 6,7-diethoxy-2-propan-2-yl-1H-quinolin-4-one?
The canonical SMILES for 6,7-diethoxy-2-propan-2-yl-1H-quinolin-4-one is CCOc1cc2[nH]c(C(C)C)cc(=O)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-2-propan-2-yl-1H-quinolin-4-one?
The InChIKey is LOXUECGISFBFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-5-19-15-7-11-13(9-16(15)20-6-2)17-12(10(3)4)8-14(11)18/h7-10H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 6,7-diethoxy-2-propan-2-yl-1H-quinolin-4-one?
6,7-diethoxy-2-propan-2-yl-1H-quinolin-4-one has a molecular weight of 275.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-2-propan-2-yl-1H-quinolin-4-one is sourced from PubChem (CID 43667984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).