N-[2-(6-methoxyquinolin-4-yl)ethyl]butanamide

C16H20N2O2 — CID 10333442

IUPACN-[2-(6-methoxyquinolin-4-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1ccnc2ccc(OC)cc12
InChIInChI=1S/C16H20N2O2/c1-3-4-16(19)18-10-8-12-7-9-17-15-6-5-13(20-2)11-14(12)15/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,19)
InChIKeyQPFBTHDYEIPJKI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.70
Rot. Bonds6

About N-[2-(6-methoxyquinolin-4-yl)ethyl]butanamide

N-[2-(6-methoxyquinolin-4-yl)ethyl]butanamide (PubChem CID 10333442) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-(6-methoxyquinolin-4-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(6-methoxyquinolin-4-yl)ethyl]butanamide
PubChem CID10333442
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[2-(6-methoxyquinolin-4-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1ccnc2ccc(OC)cc12
InChIInChI=1S/C16H20N2O2/c1-3-4-16(19)18-10-8-12-7-9-17-15-6-5-13(20-2)11-14(12)15/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,19)
InChIKeyQPFBTHDYEIPJKI-UHFFFAOYSA-N
XLogP2.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxyquinolin-4-yl)ethyl]butanamide?
The IUPAC name of N-[2-(6-methoxyquinolin-4-yl)ethyl]butanamide (CID 10333442) is N-[2-(6-methoxyquinolin-4-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(6-methoxyquinolin-4-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(6-methoxyquinolin-4-yl)ethyl]butanamide is CCCC(=O)NCCc1ccnc2ccc(OC)cc12.
What is the InChIKey of N-[2-(6-methoxyquinolin-4-yl)ethyl]butanamide?
The InChIKey is QPFBTHDYEIPJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-4-16(19)18-10-8-12-7-9-17-15-6-5-13(20-2)11-14(12)15/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(6-methoxyquinolin-4-yl)ethyl]butanamide?
N-[2-(6-methoxyquinolin-4-yl)ethyl]butanamide has a molecular weight of 272.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxyquinolin-4-yl)ethyl]butanamide is sourced from PubChem (CID 10333442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).