2-[(2-chloroquinolin-3-yl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

C15H15ClN2O2 — CID 134098087

IUPAC2-[(2-chloroquinolin-3-yl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC1(C)CON(Cc2cc3ccccc3nc2Cl)C1=O
InChIInChI=1S/C15H15ClN2O2/c1-15(2)9-20-18(14(15)19)8-11-7-10-5-3-4-6-12(10)17-13(11)16/h3-7H,8-9H2,1-2H3
InChIKeyAZEZNIYHSOABOV-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.19
Rot. Bonds2

About 2-[(2-chloroquinolin-3-yl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

2-[(2-chloroquinolin-3-yl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (PubChem CID 134098087) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[(2-chloroquinolin-3-yl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[(2-chloroquinolin-3-yl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
PubChem CID134098087
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-[(2-chloroquinolin-3-yl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC1(C)CON(Cc2cc3ccccc3nc2Cl)C1=O
InChIInChI=1S/C15H15ClN2O2/c1-15(2)9-20-18(14(15)19)8-11-7-10-5-3-4-6-12(10)17-13(11)16/h3-7H,8-9H2,1-2H3
InChIKeyAZEZNIYHSOABOV-UHFFFAOYSA-N
XLogP3.19
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;ethanol
CID 175057356
1-[(2-chloroquinolin-3-yl)methyl]piperidine-2,6-dione
CID 60921459
3-[(2-chloroquinolin-3-yl)methyl]-1,3-thiazolidine-2,4-dione
CID 60746776
3-[(2-chloroquinolin-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 24520323
2-[(2-chloro-3,5-dihydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
CID 169451849
3-chloro-4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]benzonitrile
CID 13192576
4-[(2-chloroquinolin-3-yl)methyl]-1-methylpiperazin-2-one
CID 64679888
1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione
CID 61237931
2-chloro-3-(piperidin-1-ylmethyl)quinoline
CID 60669623
2-chloro-N'-(2-chloroacetyl)-N'-[4-chloro-3-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]phenyl]acetohydrazide
CID 57182938
(5S)-3-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7594748
2-[[4-(2-benzylidenehydrazinyl)-2-chlorophenyl]methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
CID 70432782

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroquinolin-3-yl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The IUPAC name of 2-[(2-chloroquinolin-3-yl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (CID 134098087) is 2-[(2-chloroquinolin-3-yl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[(2-chloroquinolin-3-yl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[(2-chloroquinolin-3-yl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is CC1(C)CON(Cc2cc3ccccc3nc2Cl)C1=O.
What is the InChIKey of 2-[(2-chloroquinolin-3-yl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The InChIKey is AZEZNIYHSOABOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-15(2)9-20-18(14(15)19)8-11-7-10-5-3-4-6-12(10)17-13(11)16/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-[(2-chloroquinolin-3-yl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
2-[(2-chloroquinolin-3-yl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one has a molecular weight of 290.75 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroquinolin-3-yl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 134098087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).