4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-2-ylbutanamide

C19H19N3O3 — CID 3245345

IUPAC4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-2-ylbutanamide
SMILESCn1c(=O)cc(OCCCC(=O)Nc2ccccn2)c2ccccc21
InChIInChI=1S/C19H19N3O3/c1-22-15-8-3-2-7-14(15)16(13-19(22)24)25-12-6-10-18(23)21-17-9-4-5-11-20-17/h2-5,7-9,11,13H,6,10,12H2,1H3,(H,20,21,23)
InChIKeyWVXDUJLCPJAUFU-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.73
Rot. Bonds6

About 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-2-ylbutanamide

4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-2-ylbutanamide (PubChem CID 3245345) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-2-ylbutanamide
PubChem CID3245345
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-2-ylbutanamide
SMILESCn1c(=O)cc(OCCCC(=O)Nc2ccccn2)c2ccccc21
InChIInChI=1S/C19H19N3O3/c1-22-15-8-3-2-7-14(15)16(13-19(22)24)25-12-6-10-18(23)21-17-9-4-5-11-20-17/h2-5,7-9,11,13H,6,10,12H2,1H3,(H,20,21,23)
InChIKeyWVXDUJLCPJAUFU-UHFFFAOYSA-N
XLogP2.73
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.73
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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Related Compounds

Nevirapin 2,4-Disubstituted deriv. 12b
CID 464563
Bilr-516
CID 69401646
Mono tfa salt
CID 44552613
1-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24963343
4-Butoxy-2-(4-fluorophenyl)-3-pyridin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
CID 44341444
4-hydroxy-1-methyl-2-oxo-N-(pyridin-2-yl)-1,2-dihydroquinoline-3-carboxamide
CID 54684094
1-ethyl-4-hydroxy-2-oxo-N-(pyridin-2-yl)-1,2-dihydroquinoline-3-carboxamide
CID 54684095
4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-3-ylbutanamide
CID 3237217
4-[(1-methyl-2-oxo-4-quinolinyl)oxy]-N-(4-methyl-2-pyridinyl)butanamide
CID 3237904
1-methyl-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]quinolin-2(1H)-one
CID 3238264
2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-pyridin-2-ylacetamide
CID 3243068
2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide
CID 3243918

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-2-ylbutanamide?
The IUPAC name of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-2-ylbutanamide (CID 3245345) is 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-2-ylbutanamide.
What is the SMILES notation for 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-2-ylbutanamide?
The canonical SMILES for 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-2-ylbutanamide is Cn1c(=O)cc(OCCCC(=O)Nc2ccccn2)c2ccccc21.
What is the InChIKey of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-2-ylbutanamide?
The InChIKey is WVXDUJLCPJAUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-22-15-8-3-2-7-14(15)16(13-19(22)24)25-12-6-10-18(23)21-17-9-4-5-11-20-17/h2-5,7-9,11,13H,6,10,12H2,1H3,(H,20,21,23).
What are the key properties of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-2-ylbutanamide?
4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-2-ylbutanamide has a molecular weight of 337.38 g/mol, XLogP of 2.73, 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-pyridin-2-ylbutanamide is sourced from PubChem (CID 3245345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).