6-ethyl-3-pentanoyl-1H-quinolin-4-one

C16H19NO2 — CID 44561043

IUPAC6-ethyl-3-pentanoyl-1H-quinolin-4-one
SMILESCCCCC(=O)c1c[nH]c2ccc(CC)cc2c1=O
InChIInChI=1S/C16H19NO2/c1-3-5-6-15(18)13-10-17-14-8-7-11(4-2)9-12(14)16(13)19/h7-10H,3-6H2,1-2H3,(H,17,19)
InChIKeyRXMRVZANJZUNED-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.46
Rot. Bonds5

About 6-ethyl-3-pentanoyl-1H-quinolin-4-one

6-ethyl-3-pentanoyl-1H-quinolin-4-one (PubChem CID 44561043) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 6-ethyl-3-pentanoyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-ethyl-3-pentanoyl-1H-quinolin-4-one
PubChem CID44561043
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name6-ethyl-3-pentanoyl-1H-quinolin-4-one
SMILESCCCCC(=O)c1c[nH]c2ccc(CC)cc2c1=O
InChIInChI=1S/C16H19NO2/c1-3-5-6-15(18)13-10-17-14-8-7-11(4-2)9-12(14)16(13)19/h7-10H,3-6H2,1-2H3,(H,17,19)
InChIKeyRXMRVZANJZUNED-UHFFFAOYSA-N
XLogP3.46
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-pentanoyl-1H-quinolin-4-one?
The IUPAC name of 6-ethyl-3-pentanoyl-1H-quinolin-4-one (CID 44561043) is 6-ethyl-3-pentanoyl-1H-quinolin-4-one.
What is the SMILES notation for 6-ethyl-3-pentanoyl-1H-quinolin-4-one?
The canonical SMILES for 6-ethyl-3-pentanoyl-1H-quinolin-4-one is CCCCC(=O)c1c[nH]c2ccc(CC)cc2c1=O.
What is the InChIKey of 6-ethyl-3-pentanoyl-1H-quinolin-4-one?
The InChIKey is RXMRVZANJZUNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-5-6-15(18)13-10-17-14-8-7-11(4-2)9-12(14)16(13)19/h7-10H,3-6H2,1-2H3,(H,17,19).
What are the key properties of 6-ethyl-3-pentanoyl-1H-quinolin-4-one?
6-ethyl-3-pentanoyl-1H-quinolin-4-one has a molecular weight of 257.33 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-pentanoyl-1H-quinolin-4-one is sourced from PubChem (CID 44561043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).