6-bromo-4-(2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

C19H13BrFNO — CID 2884183

IUPAC6-bromo-4-(2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1CC(c2ccccc2F)c2cc(Br)c3ccccc3c2N1
InChIInChI=1S/C19H13BrFNO/c20-16-9-15-14(12-6-3-4-8-17(12)21)10-18(23)22-19(15)13-7-2-1-5-11(13)16/h1-9,14H,10H2,(H,22,23)
InChIKeyVOLQBDBBOLCZKE-UHFFFAOYSA-N
MW370.22 g/mol
LogP5.22
Rot. Bonds1

About 6-bromo-4-(2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

6-bromo-4-(2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (PubChem CID 2884183) has the molecular formula C19H13BrFNO and a molecular weight of 370.22 g/mol. Its IUPAC name is 6-bromo-4-(2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.

Molecular Properties

Compound Name6-bromo-4-(2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
PubChem CID2884183
Molecular FormulaC19H13BrFNO
Molecular Weight370.22 g/mol
Exact Mass369.02
IUPAC Name6-bromo-4-(2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1CC(c2ccccc2F)c2cc(Br)c3ccccc3c2N1
InChIInChI=1S/C19H13BrFNO/c20-16-9-15-14(12-6-3-4-8-17(12)21)10-18(23)22-19(15)13-7-2-1-5-11(13)16/h1-9,14H,10H2,(H,22,23)
InChIKeyVOLQBDBBOLCZKE-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.22
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-6-bromo-4-(5-bromo-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 41123454
(4R)-6-bromo-4-(4-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2167258
(4R)-6-bromo-4-(2,3-dichlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 1269109
6-bromo-4-(4-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2884320
(4S)-6-bromo-4-(3,4-dichlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 1123029
6-bromo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 3448734
6-bromo-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 22430736
4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 59140319
4-[2-(difluoromethyl)phenyl]-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 143519900
(4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 40645376
benzyl (4S)-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 773477
7-(2-chlorophenyl)-4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17060707

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The IUPAC name of 6-bromo-4-(2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (CID 2884183) is 6-bromo-4-(2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.
What is the SMILES notation for 6-bromo-4-(2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The canonical SMILES for 6-bromo-4-(2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is O=C1CC(c2ccccc2F)c2cc(Br)c3ccccc3c2N1.
What is the InChIKey of 6-bromo-4-(2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The InChIKey is VOLQBDBBOLCZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFNO/c20-16-9-15-14(12-6-3-4-8-17(12)21)10-18(23)22-19(15)13-7-2-1-5-11(13)16/h1-9,14H,10H2,(H,22,23).
What are the key properties of 6-bromo-4-(2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
6-bromo-4-(2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one has a molecular weight of 370.22 g/mol, XLogP of 5.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is sourced from PubChem (CID 2884183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).