2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide

C21H30N2O3 — CID 54688356

IUPAC2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide
SMILESCC(C)CCN(CCC(C)C)C(=O)Cc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C21H30N2O3/c1-14(2)9-11-23(12-10-15(3)4)19(24)13-17-20(25)16-7-5-6-8-18(16)22-21(17)26/h5-8,14-15H,9-13H2,1-4H3,(H2,22,25,26)
InChIKeyUKSLSFKPZIHOPM-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.70
Rot. Bonds8

About 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide

2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide (PubChem CID 54688356) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide
PubChem CID54688356
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide
SMILESCC(C)CCN(CCC(C)C)C(=O)Cc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C21H30N2O3/c1-14(2)9-11-23(12-10-15(3)4)19(24)13-17-20(25)16-7-5-6-8-18(16)22-21(17)26/h5-8,14-15H,9-13H2,1-4H3,(H2,22,25,26)
InChIKeyUKSLSFKPZIHOPM-UHFFFAOYSA-N
XLogP3.70
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide?
The IUPAC name of 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide (CID 54688356) is 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide is CC(C)CCN(CCC(C)C)C(=O)Cc1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide?
The InChIKey is UKSLSFKPZIHOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-14(2)9-11-23(12-10-15(3)4)19(24)13-17-20(25)16-7-5-6-8-18(16)22-21(17)26/h5-8,14-15H,9-13H2,1-4H3,(H2,22,25,26).
What are the key properties of 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide?
2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide has a molecular weight of 358.48 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide is sourced from PubChem (CID 54688356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).