4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide

C21H19N5O3 — CID 135896861

IUPAC4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide
SMILESCc1ccc2[nH]c(=O)c(-c3noc(CCCC(=O)Nc4ccncc4)n3)cc2c1
InChIInChI=1S/C21H19N5O3/c1-13-5-6-17-14(11-13)12-16(21(28)24-17)20-25-19(29-26-20)4-2-3-18(27)23-15-7-9-22-10-8-15/h5-12H,2-4H2,1H3,(H,24,28)(H,22,23,27)
InChIKeyHQTQUWMGPMWWBK-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.24
Rot. Bonds6

About 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide

4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide (PubChem CID 135896861) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide
PubChem CID135896861
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide
SMILESCc1ccc2[nH]c(=O)c(-c3noc(CCCC(=O)Nc4ccncc4)n3)cc2c1
InChIInChI=1S/C21H19N5O3/c1-13-5-6-17-14(11-13)12-16(21(28)24-17)20-25-19(29-26-20)4-2-3-18(27)23-15-7-9-22-10-8-15/h5-12H,2-4H2,1H3,(H,24,28)(H,22,23,27)
InChIKeyHQTQUWMGPMWWBK-UHFFFAOYSA-N
XLogP3.24
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethylphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide
CID 135896856
N-(4-methoxyphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide
CID 135896838
4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)butanamide
CID 135896850
N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612263
3-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 135970417
4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide
CID 135896811
4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 136825358
N-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 135970455
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide
CID 46265246
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(4-methylphenyl)propanamide
CID 110331250
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101291
3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 135970389

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide?
The IUPAC name of 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide (CID 135896861) is 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide.
What is the SMILES notation for 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide?
The canonical SMILES for 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide is Cc1ccc2[nH]c(=O)c(-c3noc(CCCC(=O)Nc4ccncc4)n3)cc2c1.
What is the InChIKey of 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide?
The InChIKey is HQTQUWMGPMWWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-13-5-6-17-14(11-13)12-16(21(28)24-17)20-25-19(29-26-20)4-2-3-18(27)23-15-7-9-22-10-8-15/h5-12H,2-4H2,1H3,(H,24,28)(H,22,23,27).
What are the key properties of 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide?
4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide has a molecular weight of 389.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 135896861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).