(4R)-4-(5-bromo-2-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one

C17H15BrFNO — CID 704724

IUPAC(4R)-4-(5-bromo-2-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1C)[C@H](c1cc(Br)ccc1F)CC(=O)N2
InChIInChI=1S/C17H15BrFNO/c1-9-5-14-12(13-7-11(18)3-4-15(13)19)8-17(21)20-16(14)6-10(9)2/h3-7,12H,8H2,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyPOGXRPWJRVAECM-LBPRGKRZSA-N
MW348.22 g/mol
LogP4.68
Rot. Bonds1

About (4R)-4-(5-bromo-2-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one

(4R)-4-(5-bromo-2-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 704724) has the molecular formula C17H15BrFNO and a molecular weight of 348.22 g/mol. Its IUPAC name is (4R)-4-(5-bromo-2-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-4-(5-bromo-2-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID704724
Molecular FormulaC17H15BrFNO
Molecular Weight348.22 g/mol
Exact Mass347.03
IUPAC Name(4R)-4-(5-bromo-2-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1C)[C@H](c1cc(Br)ccc1F)CC(=O)N2
InChIInChI=1S/C17H15BrFNO/c1-9-5-14-12(13-7-11(18)3-4-15(13)19)8-17(21)20-16(14)6-10(9)2/h3-7,12H,8H2,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyPOGXRPWJRVAECM-LBPRGKRZSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(9R)-9-(5-bromo-2-fluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1289584
4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 6462277
(4R)-6-bromo-4-(5-bromo-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 41123454
(4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 673218
6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane
CID 91416238
4-(5-bromo-2-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2973014
8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2973010
(9R)-9-(2,5-difluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1256796
4-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2955307
7-(5-bromo-2-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811594
8-(2-fluoro-5-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 169416777
(4R)-4-(5-bromo-2-fluorophenyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793676

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(5-bromo-2-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4R)-4-(5-bromo-2-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one (CID 704724) is (4R)-4-(5-bromo-2-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4R)-4-(5-bromo-2-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4R)-4-(5-bromo-2-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one is Cc1cc2c(cc1C)[C@H](c1cc(Br)ccc1F)CC(=O)N2.
What is the InChIKey of (4R)-4-(5-bromo-2-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is POGXRPWJRVAECM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15BrFNO/c1-9-5-14-12(13-7-11(18)3-4-15(13)19)8-17(21)20-16(14)6-10(9)2/h3-7,12H,8H2,1-2H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (4R)-4-(5-bromo-2-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
(4R)-4-(5-bromo-2-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 348.22 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(5-bromo-2-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 704724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).