9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione

C18H14ClFN2O3 — CID 171907621

IUPAC9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
SMILESCN1C(=O)COc2cc3c(cc21)C(c1cccc(Cl)c1F)CC(=O)N3
InChIInChI=1S/C18H14ClFN2O3/c1-22-14-5-11-10(9-3-2-4-12(19)18(9)20)6-16(23)21-13(11)7-15(14)25-8-17(22)24/h2-5,7,10H,6,8H2,1H3,(H,21,23)
InChIKeyZRLSVHVZVGDPTM-UHFFFAOYSA-N
MW360.77 g/mol
LogP3.31
Rot. Bonds1

About 9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione

9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione (PubChem CID 171907621) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is 9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione.

Molecular Properties

Compound Name9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
PubChem CID171907621
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC Name9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
SMILESCN1C(=O)COc2cc3c(cc21)C(c1cccc(Cl)c1F)CC(=O)N3
InChIInChI=1S/C18H14ClFN2O3/c1-22-14-5-11-10(9-3-2-4-12(19)18(9)20)6-16(23)21-13(11)7-15(14)25-8-17(22)24/h2-5,7,10H,6,8H2,1H3,(H,21,23)
InChIKeyZRLSVHVZVGDPTM-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione with MolForge

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Related Compounds

(8R)-8-(3-chloro-2-fluorophenyl)-1-methyl-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinoline-2,6-dione
CID 95141736
(9S)-9-(8-hydroxyquinolin-2-yl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
CID 95147338
9-(3-ethoxy-4-hydroxyphenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
CID 169420516
(9R)-9-(2-chloro-6-fluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1251396
(9R)-9-(2,1,3-benzothiadiazol-4-yl)-4-ethyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione
CID 95144264
4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 59140319
4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 169410909
(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 828521
8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2964928
4-(2-chlorophenyl)-7-methoxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 169419884
8-(4-fluoro-2-hydroxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 50948929
4-(2,4-difluoro-3-methoxyphenyl)-7-methoxy-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
CID 171910741

Frequently Asked Questions

What is the IUPAC name of 9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione?
The IUPAC name of 9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione (CID 171907621) is 9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione.
What is the SMILES notation for 9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione?
The canonical SMILES for 9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione is CN1C(=O)COc2cc3c(cc21)C(c1cccc(Cl)c1F)CC(=O)N3.
What is the InChIKey of 9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione?
The InChIKey is ZRLSVHVZVGDPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c1-22-14-5-11-10(9-3-2-4-12(19)18(9)20)6-16(23)21-13(11)7-15(14)25-8-17(22)24/h2-5,7,10H,6,8H2,1H3,(H,21,23).
What are the key properties of 9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione?
9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione has a molecular weight of 360.77 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione is sourced from PubChem (CID 171907621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).