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

C17H21NO2 — CID 44561075

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

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

6-ethyl-3-(3-methylpentanoyl)-1H-quinolin-4-one (PubChem CID 44561075) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-ethyl-3-(3-methylpentanoyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-ethyl-3-(3-methylpentanoyl)-1H-quinolin-4-one
PubChem CID44561075
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name6-ethyl-3-(3-methylpentanoyl)-1H-quinolin-4-one
SMILESCCc1ccc2[nH]cc(C(=O)CC(C)CC)c(=O)c2c1
InChIInChI=1S/C17H21NO2/c1-4-11(3)8-16(19)14-10-18-15-7-6-12(5-2)9-13(15)17(14)20/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,20)
InChIKeyGFLKFMNNAOMQAG-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-(3-methylpentanoyl)-1H-quinolin-4-one?
The IUPAC name of 6-ethyl-3-(3-methylpentanoyl)-1H-quinolin-4-one (CID 44561075) is 6-ethyl-3-(3-methylpentanoyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-ethyl-3-(3-methylpentanoyl)-1H-quinolin-4-one?
The canonical SMILES for 6-ethyl-3-(3-methylpentanoyl)-1H-quinolin-4-one is CCc1ccc2[nH]cc(C(=O)CC(C)CC)c(=O)c2c1.
What is the InChIKey of 6-ethyl-3-(3-methylpentanoyl)-1H-quinolin-4-one?
The InChIKey is GFLKFMNNAOMQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-11(3)8-16(19)14-10-18-15-7-6-12(5-2)9-13(15)17(14)20/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,20).
What are the key properties of 6-ethyl-3-(3-methylpentanoyl)-1H-quinolin-4-one?
6-ethyl-3-(3-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-(3-methylpentanoyl)-1H-quinolin-4-one is sourced from PubChem (CID 44561075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).