N-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide

C18H22N2O3 — CID 13112648

IUPACN-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
SMILESCCN(C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1)C1CC1
InChIInChI=1S/C18H22N2O3/c1-2-20(14-6-7-14)18(22)4-3-11-23-15-8-9-16-13(12-15)5-10-17(21)19-16/h5,8-10,12,14H,2-4,6-7,11H2,1H3,(H,19,21)
InChIKeyNYKMHZMNPHCKBP-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.70
Rot. Bonds7

About N-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide

N-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide (PubChem CID 13112648) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
PubChem CID13112648
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
SMILESCCN(C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1)C1CC1
InChIInChI=1S/C18H22N2O3/c1-2-20(14-6-7-14)18(22)4-3-11-23-15-8-9-16-13(12-15)5-10-17(21)19-16/h5,8-10,12,14H,2-4,6-7,11H2,1H3,(H,19,21)
InChIKeyNYKMHZMNPHCKBP-UHFFFAOYSA-N
XLogP2.70
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide?
The IUPAC name of N-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide (CID 13112648) is N-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide is CCN(C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide?
The InChIKey is NYKMHZMNPHCKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-20(14-6-7-14)18(22)4-3-11-23-15-8-9-16-13(12-15)5-10-17(21)19-16/h5,8-10,12,14H,2-4,6-7,11H2,1H3,(H,19,21).
What are the key properties of N-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide?
N-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide has a molecular weight of 314.38 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide is sourced from PubChem (CID 13112648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).