3-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one

C21H17ClFN3O2 — CID 133325047

IUPAC3-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc2c1CCN(c1ccc3c(Cl)ccnc3c1F)C2
InChIInChI=1S/C21H17ClFN3O2/c22-16-6-8-24-20-15(16)4-5-18(19(20)23)25-9-7-14-13(12-25)2-1-3-17(14)26-10-11-28-21(26)27/h1-6,8H,7,9-12H2
InChIKeyOUCNRWLXOWLRPS-UHFFFAOYSA-N
MW397.84 g/mol
LogP4.55
Rot. Bonds2

About 3-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one

3-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one (PubChem CID 133325047) has the molecular formula C21H17ClFN3O2 and a molecular weight of 397.84 g/mol. Its IUPAC name is 3-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
PubChem CID133325047
Molecular FormulaC21H17ClFN3O2
Molecular Weight397.84 g/mol
Exact Mass397.10
IUPAC Name3-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc2c1CCN(c1ccc3c(Cl)ccnc3c1F)C2
InChIInChI=1S/C21H17ClFN3O2/c22-16-6-8-24-20-15(16)4-5-18(19(20)23)25-9-7-14-13(12-25)2-1-3-17(14)26-10-11-28-21(26)27/h1-6,8H,7,9-12H2
InChIKeyOUCNRWLXOWLRPS-UHFFFAOYSA-N
XLogP4.55
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

N-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 133298183
2-fluoro-6-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]benzonitrile
CID 133325236
5-chloro-6-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide
CID 133325177
3-[2-[4-(4-fluorophenoxy)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
CID 133325225
3-[2-(2,6-dichloro-4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
CID 133484561
3-[2-([1]benzofuro[3,2-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
CID 133325170
3-[2-(6-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
CID 75509881
3-[2-(4-bromo-2-nitrophenyl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
CID 133325141
3-[2-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
CID 133325127
N-methyl-2-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide
CID 133325201
4-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]quinoline-2-carbonitrile
CID 133325125
4-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]quinoline-3-carbonitrile
CID 133325259

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one (CID 133325047) is 3-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one is O=C1OCCN1c1cccc2c1CCN(c1ccc3c(Cl)ccnc3c1F)C2.
What is the InChIKey of 3-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one?
The InChIKey is OUCNRWLXOWLRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O2/c22-16-6-8-24-20-15(16)4-5-18(19(20)23)25-9-7-14-13(12-25)2-1-3-17(14)26-10-11-28-21(26)27/h1-6,8H,7,9-12H2.
What are the key properties of 3-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one?
3-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one has a molecular weight of 397.84 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 133325047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).