4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-3-ylbutanamide

C19H19N3O3 — CID 3237217

IUPAC4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-3-ylbutanamide
SMILESCn1c(=O)cc(OCCCC(=O)Nc2cccnc2)c2ccccc21
InChIInChI=1S/C19H19N3O3/c1-22-16-8-3-2-7-15(16)17(12-19(22)24)25-11-5-9-18(23)21-14-6-4-10-20-13-14/h2-4,6-8,10,12-13H,5,9,11H2,1H3,(H,21,23)
InChIKeyLLDHGRSOCPIVKF-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.73
Rot. Bonds6

About 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-3-ylbutanamide

4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-3-ylbutanamide (PubChem CID 3237217) 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-3-ylbutanamide.

Molecular Properties

Compound Name4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-3-ylbutanamide
PubChem CID3237217
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-3-ylbutanamide
SMILESCn1c(=O)cc(OCCCC(=O)Nc2cccnc2)c2ccccc21
InChIInChI=1S/C19H19N3O3/c1-22-16-8-3-2-7-15(16)17(12-19(22)24)25-11-5-9-18(23)21-14-6-4-10-20-13-14/h2-4,6-8,10,12-13H,5,9,11H2,1H3,(H,21,23)
InChIKeyLLDHGRSOCPIVKF-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

Benzyl 4-[(pyridin-3-ylamino)methyl]piperidine-1-carboxylate
CID 9858476
4-(4-fluorobenzyloxy)-1-(2-(5-((propylamino)methyl)pyridin-2-yl)ethyl)pyridin-2(1H)-one
CID 45487384
2H-1-Benzopyran-3-carboxamide, N-3-pyridinyl-
CID 55151
(E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 2547662
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-ylmethyl)acetamide
CID 3241782
2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide
CID 3243918
2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide
CID 3244829
4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-pyridin-2-ylbutanamide
CID 3245345
1-Isobutyl-2-oxo-3-(1-pyridiniumyl)-1,2-dihydro-4-quinolinolate
CID 10494025
4-(4-fluorobenzyloxy)-1-(2-(6-((propylamino)methyl)pyridin-3-yl)ethyl)pyridin-2(1H)-one
CID 45487385

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-3-ylbutanamide?
The IUPAC name of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-3-ylbutanamide (CID 3237217) is 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-3-ylbutanamide?
The canonical SMILES for 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-3-ylbutanamide is Cn1c(=O)cc(OCCCC(=O)Nc2cccnc2)c2ccccc21.
What is the InChIKey of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-3-ylbutanamide?
The InChIKey is LLDHGRSOCPIVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-22-16-8-3-2-7-15(16)17(12-19(22)24)25-11-5-9-18(23)21-14-6-4-10-20-13-14/h2-4,6-8,10,12-13H,5,9,11H2,1H3,(H,21,23).
What are the key properties of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-3-ylbutanamide?
4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-pyridin-3-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-3-ylbutanamide is sourced from PubChem (CID 3237217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).