2-ethyl-3-methyl-6-propan-2-yloxy-1H-quinolin-4-one

C15H19NO2 — CID 55221673

IUPAC2-ethyl-3-methyl-6-propan-2-yloxy-1H-quinolin-4-one
SMILESCCc1[nH]c2ccc(OC(C)C)cc2c(=O)c1C
InChIInChI=1S/C15H19NO2/c1-5-13-10(4)15(17)12-8-11(18-9(2)3)6-7-14(12)16-13/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeyJSCQCNOETVPUJK-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.19
Rot. Bonds3

About 2-ethyl-3-methyl-6-propan-2-yloxy-1H-quinolin-4-one

2-ethyl-3-methyl-6-propan-2-yloxy-1H-quinolin-4-one (PubChem CID 55221673) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-ethyl-3-methyl-6-propan-2-yloxy-1H-quinolin-4-one.

Molecular Properties

Compound Name2-ethyl-3-methyl-6-propan-2-yloxy-1H-quinolin-4-one
PubChem CID55221673
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-ethyl-3-methyl-6-propan-2-yloxy-1H-quinolin-4-one
SMILESCCc1[nH]c2ccc(OC(C)C)cc2c(=O)c1C
InChIInChI=1S/C15H19NO2/c1-5-13-10(4)15(17)12-8-11(18-9(2)3)6-7-14(12)16-13/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeyJSCQCNOETVPUJK-UHFFFAOYSA-N
XLogP3.19
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-6-propan-2-yloxy-1H-quinolin-4-one?
The IUPAC name of 2-ethyl-3-methyl-6-propan-2-yloxy-1H-quinolin-4-one (CID 55221673) is 2-ethyl-3-methyl-6-propan-2-yloxy-1H-quinolin-4-one.
What is the SMILES notation for 2-ethyl-3-methyl-6-propan-2-yloxy-1H-quinolin-4-one?
The canonical SMILES for 2-ethyl-3-methyl-6-propan-2-yloxy-1H-quinolin-4-one is CCc1[nH]c2ccc(OC(C)C)cc2c(=O)c1C.
What is the InChIKey of 2-ethyl-3-methyl-6-propan-2-yloxy-1H-quinolin-4-one?
The InChIKey is JSCQCNOETVPUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-5-13-10(4)15(17)12-8-11(18-9(2)3)6-7-14(12)16-13/h6-9H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-ethyl-3-methyl-6-propan-2-yloxy-1H-quinolin-4-one?
2-ethyl-3-methyl-6-propan-2-yloxy-1H-quinolin-4-one has a molecular weight of 245.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-6-propan-2-yloxy-1H-quinolin-4-one is sourced from PubChem (CID 55221673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).