4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-methyl-2-pyridinyl)butanamide

C20H21N3O3 — CID 3237904

IUPAC4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-methyl-2-pyridinyl)butanamide
SMILESCc1ccnc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c1
InChIInChI=1S/C20H21N3O3/c1-14-9-10-21-18(12-14)22-19(24)8-5-11-26-17-13-20(25)23(2)16-7-4-3-6-15(16)17/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,21,22,24)
InChIKeyKRZBWKRPRKNWHY-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.04
Rot. Bonds6

About 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-methyl-2-pyridinyl)butanamide

4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-methyl-2-pyridinyl)butanamide (PubChem CID 3237904) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-methyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-methyl-2-pyridinyl)butanamide
PubChem CID3237904
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-methyl-2-pyridinyl)butanamide
SMILESCc1ccnc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c1
InChIInChI=1S/C20H21N3O3/c1-14-9-10-21-18(12-14)22-19(24)8-5-11-26-17-13-20(25)23(2)16-7-4-3-6-15(16)17/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,21,22,24)
InChIKeyKRZBWKRPRKNWHY-UHFFFAOYSA-N
XLogP3.04
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-methyl-2-pyridinyl)butanamide?
The IUPAC name of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-methyl-2-pyridinyl)butanamide (CID 3237904) is 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-methyl-2-pyridinyl)butanamide.
What is the SMILES notation for 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-methyl-2-pyridinyl)butanamide?
The canonical SMILES for 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-methyl-2-pyridinyl)butanamide is Cc1ccnc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c1.
What is the InChIKey of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-methyl-2-pyridinyl)butanamide?
The InChIKey is KRZBWKRPRKNWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-9-10-21-18(12-14)22-19(24)8-5-11-26-17-13-20(25)23(2)16-7-4-3-6-15(16)17/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,21,22,24).
What are the key properties of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-methyl-2-pyridinyl)butanamide?
4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-methyl-2-pyridinyl)butanamide has a molecular weight of 351.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-methyl-2-pyridinyl)butanamide is sourced from PubChem (CID 3237904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).