4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide

C15H14N4O3 — CID 71862176

IUPAC4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1c(C(=O)NCCc2ncon2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C15H14N4O3/c1-9-10-4-2-3-5-11(10)18-15(21)13(9)14(20)16-7-6-12-17-8-22-19-12/h2-5,8H,6-7H2,1H3,(H,16,20)(H,18,21)
InChIKeyYZVBRDVMILPABY-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.19
Rot. Bonds4

About 4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide

4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 71862176) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID71862176
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1c(C(=O)NCCc2ncon2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C15H14N4O3/c1-9-10-4-2-3-5-11(10)18-15(21)13(9)14(20)16-7-6-12-17-8-22-19-12/h2-5,8H,6-7H2,1H3,(H,16,20)(H,18,21)
InChIKeyYZVBRDVMILPABY-UHFFFAOYSA-N
XLogP1.19
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide
CID 24939140
3-acetyl-4-methyl-1H-quinolin-2-one
CID 102153269
N-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 96528870
N-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24939142
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24939135
4-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 24951306
N-[(1-hydroxycyclobutyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 111779687
4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide
CID 106396198
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 113238381
3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide
CID 106397844
4-methyl-2-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1H-quinoline-3-carboxamide
CID 167965401
2-hydrazinyl-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106409422

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide (CID 71862176) is 4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide is Cc1c(C(=O)NCCc2ncon2)c(=O)[nH]c2ccccc12.
What is the InChIKey of 4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is YZVBRDVMILPABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-9-10-4-2-3-5-11(10)18-15(21)13(9)14(20)16-7-6-12-17-8-22-19-12/h2-5,8H,6-7H2,1H3,(H,16,20)(H,18,21).
What are the key properties of 4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide?
4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 71862176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).