(8R)-8-(3-chloro-2-fluorophenyl)-1-methyl-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinoline-2,6-dione

C17H12ClFN2O3 — CID 95141736

IUPAC(8R)-8-(3-chloro-2-fluorophenyl)-1-methyl-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinoline-2,6-dione
SMILESCn1c(=O)oc2cc3c(cc21)[C@H](c1cccc(Cl)c1F)CC(=O)N3
InChIInChI=1S/C17H12ClFN2O3/c1-21-13-5-10-9(8-3-2-4-11(18)16(8)19)6-15(22)20-12(10)7-14(13)24-17(21)23/h2-5,7,9H,6H2,1H3,(H,20,22)/t9-/m0/s1
InChIKeyXFAIRVHDQLCKFF-VIFPVBQESA-N
MW346.75 g/mol
LogP3.40
Rot. Bonds1

About (8R)-8-(3-chloro-2-fluorophenyl)-1-methyl-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinoline-2,6-dione

(8R)-8-(3-chloro-2-fluorophenyl)-1-methyl-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinoline-2,6-dione (PubChem CID 95141736) has the molecular formula C17H12ClFN2O3 and a molecular weight of 346.75 g/mol. Its IUPAC name is (8R)-8-(3-chloro-2-fluorophenyl)-1-methyl-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinoline-2,6-dione.

Molecular Properties

Compound Name(8R)-8-(3-chloro-2-fluorophenyl)-1-methyl-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinoline-2,6-dione
PubChem CID95141736
Molecular FormulaC17H12ClFN2O3
Molecular Weight346.75 g/mol
Exact Mass346.05
IUPAC Name(8R)-8-(3-chloro-2-fluorophenyl)-1-methyl-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinoline-2,6-dione
SMILESCn1c(=O)oc2cc3c(cc21)[C@H](c1cccc(Cl)c1F)CC(=O)N3
InChIInChI=1S/C17H12ClFN2O3/c1-21-13-5-10-9(8-3-2-4-11(18)16(8)19)6-15(22)20-12(10)7-14(13)24-17(21)23/h2-5,7,9H,6H2,1H3,(H,20,22)/t9-/m0/s1
InChIKeyXFAIRVHDQLCKFF-VIFPVBQESA-N
XLogP3.40
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (8R)-8-(3-chloro-2-fluorophenyl)-1-methyl-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinoline-2,6-dione with MolForge

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Related Compounds

9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
CID 171907621
5-(2-chlorophenyl)-3-methyl-5,6-dihydrocyclopenta[f][1,3]benzoxazole-2,7-dione
CID 10710339
methyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate
CID 50984282
4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 59140319
(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 828521
(4R)-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 878755
4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 169410909
(9R)-9-(2-chloro-6-fluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1251396
4-(3-chloro-2-fluorophenyl)-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
CID 135988405
4-(2-chlorophenyl)-7-methoxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 169419884
4-(2,4-difluoro-3-methoxyphenyl)-7-methoxy-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
CID 171910741
(4R)-4-(2-chloro-6-fluorophenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136800439

Frequently Asked Questions

What is the IUPAC name of (8R)-8-(3-chloro-2-fluorophenyl)-1-methyl-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinoline-2,6-dione?
The IUPAC name of (8R)-8-(3-chloro-2-fluorophenyl)-1-methyl-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinoline-2,6-dione (CID 95141736) is (8R)-8-(3-chloro-2-fluorophenyl)-1-methyl-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinoline-2,6-dione.
What is the SMILES notation for (8R)-8-(3-chloro-2-fluorophenyl)-1-methyl-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinoline-2,6-dione?
The canonical SMILES for (8R)-8-(3-chloro-2-fluorophenyl)-1-methyl-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinoline-2,6-dione is Cn1c(=O)oc2cc3c(cc21)[C@H](c1cccc(Cl)c1F)CC(=O)N3.
What is the InChIKey of (8R)-8-(3-chloro-2-fluorophenyl)-1-methyl-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinoline-2,6-dione?
The InChIKey is XFAIRVHDQLCKFF-VIFPVBQESA-N. The full InChI is InChI=1S/C17H12ClFN2O3/c1-21-13-5-10-9(8-3-2-4-11(18)16(8)19)6-15(22)20-12(10)7-14(13)24-17(21)23/h2-5,7,9H,6H2,1H3,(H,20,22)/t9-/m0/s1.
What are the key properties of (8R)-8-(3-chloro-2-fluorophenyl)-1-methyl-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinoline-2,6-dione?
(8R)-8-(3-chloro-2-fluorophenyl)-1-methyl-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinoline-2,6-dione has a molecular weight of 346.75 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(3-chloro-2-fluorophenyl)-1-methyl-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinoline-2,6-dione is sourced from PubChem (CID 95141736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).