N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide

C15H16N2O3 — CID 86287174

IUPACN-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCC1(CNC(=O)c2cc3ccccc3[nH]c2=O)COC1
InChIInChI=1S/C15H16N2O3/c1-15(8-20-9-15)7-16-13(18)11-6-10-4-2-3-5-12(10)17-14(11)19/h2-6H,7-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyJORUNZFUZJFKBF-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.29
Rot. Bonds3

About N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide

N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 86287174) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID86287174
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCC1(CNC(=O)c2cc3ccccc3[nH]c2=O)COC1
InChIInChI=1S/C15H16N2O3/c1-15(8-20-9-15)7-16-13(18)11-6-10-4-2-3-5-12(10)17-14(11)19/h2-6H,7-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyJORUNZFUZJFKBF-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-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854
2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
N-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 78957665
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 95708416
N,N-dimethyl-2-oxo-1H-quinoline-3-carboxamide
CID 14117619
2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid
CID 122126262
N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 120650317
N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 175655125
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731957
2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide
CID 16589972

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide (CID 86287174) is N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide is CC1(CNC(=O)c2cc3ccccc3[nH]c2=O)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is JORUNZFUZJFKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-15(8-20-9-15)7-16-13(18)11-6-10-4-2-3-5-12(10)17-14(11)19/h2-6H,7-9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[(3-methyloxetan-3-yl)methyl]-2-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]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 86287174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).