N-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide

C15H16N2O3 — CID 78957665

IUPACN-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCC1(CNC(=O)c2c[nH]c3ccccc3c2=O)COC1
InChIInChI=1S/C15H16N2O3/c1-15(8-20-9-15)7-17-14(19)11-6-16-12-5-3-2-4-10(12)13(11)18/h2-6H,7-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyMSAPLZOETPZEQA-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.29
Rot. Bonds3

About N-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide

N-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 78957665) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID78957665
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCC1(CNC(=O)c2c[nH]c3ccccc3c2=O)COC1
InChIInChI=1S/C15H16N2O3/c1-15(8-20-9-15)7-17-14(19)11-6-16-12-5-3-2-4-10(12)13(11)18/h2-6H,7-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyMSAPLZOETPZEQA-UHFFFAOYSA-N
XLogP1.29
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide
CID 103742649
N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 95091675
N-[(1-ethylcyclopentyl)methyl]-1H-indole-3-carboxamide
CID 103766558
N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide
CID 121014787
3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 79035684
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide
CID 62519123
4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 119403797
N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119630571
N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 87017576
2-ethylsulfonyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78956982
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 107866584

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide (CID 78957665) is N-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide is CC1(CNC(=O)c2c[nH]c3ccccc3c2=O)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is MSAPLZOETPZEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-15(8-20-9-15)7-17-14(19)11-6-16-12-5-3-2-4-10(12)13(11)18/h2-6H,7-9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 78957665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).