6-ethyl-3-(4-methylpentanoyl)-1H-quinolin-4-one

C17H21NO2 — CID 44561076

IUPAC6-ethyl-3-(4-methylpentanoyl)-1H-quinolin-4-one
SMILESCCc1ccc2[nH]cc(C(=O)CCC(C)C)c(=O)c2c1
InChIInChI=1S/C17H21NO2/c1-4-12-6-7-15-13(9-12)17(20)14(10-18-15)16(19)8-5-11(2)3/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,20)
InChIKeyRNAZSHOQXSUQMH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.71
Rot. Bonds5

About 6-ethyl-3-(4-methylpentanoyl)-1H-quinolin-4-one

6-ethyl-3-(4-methylpentanoyl)-1H-quinolin-4-one (PubChem CID 44561076) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-ethyl-3-(4-methylpentanoyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-ethyl-3-(4-methylpentanoyl)-1H-quinolin-4-one
PubChem CID44561076
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name6-ethyl-3-(4-methylpentanoyl)-1H-quinolin-4-one
SMILESCCc1ccc2[nH]cc(C(=O)CCC(C)C)c(=O)c2c1
InChIInChI=1S/C17H21NO2/c1-4-12-6-7-15-13(9-12)17(20)14(10-18-15)16(19)8-5-11(2)3/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,20)
InChIKeyRNAZSHOQXSUQMH-UHFFFAOYSA-N
XLogP3.71
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(4-methylpentanoyl)-1H-quinolin-4-one?
The IUPAC name of 6-ethyl-3-(4-methylpentanoyl)-1H-quinolin-4-one (CID 44561076) is 6-ethyl-3-(4-methylpentanoyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-ethyl-3-(4-methylpentanoyl)-1H-quinolin-4-one?
The canonical SMILES for 6-ethyl-3-(4-methylpentanoyl)-1H-quinolin-4-one is CCc1ccc2[nH]cc(C(=O)CCC(C)C)c(=O)c2c1.
What is the InChIKey of 6-ethyl-3-(4-methylpentanoyl)-1H-quinolin-4-one?
The InChIKey is RNAZSHOQXSUQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-12-6-7-15-13(9-12)17(20)14(10-18-15)16(19)8-5-11(2)3/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,20).
What are the key properties of 6-ethyl-3-(4-methylpentanoyl)-1H-quinolin-4-one?
6-ethyl-3-(4-methylpentanoyl)-1H-quinolin-4-one has a molecular weight of 271.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(4-methylpentanoyl)-1H-quinolin-4-one is sourced from PubChem (CID 44561076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).