(4R)-6-bromo-4-(5-bromo-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

C19H12Br2FNO — CID 41123454

IUPAC(4R)-6-bromo-4-(5-bromo-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1C[C@@H](c2cc(Br)ccc2F)c2cc(Br)c3ccccc3c2N1
InChIInChI=1S/C19H12Br2FNO/c20-10-5-6-17(22)14(7-10)13-9-18(24)23-19-12-4-2-1-3-11(12)16(21)8-15(13)19/h1-8,13H,9H2,(H,23,24)/t13-/m0/s1
InChIKeyGXLIDDHKDVAJTF-ZDUSSCGKSA-N
MW449.12 g/mol
LogP5.98
Rot. Bonds1

About (4R)-6-bromo-4-(5-bromo-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

(4R)-6-bromo-4-(5-bromo-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (PubChem CID 41123454) has the molecular formula C19H12Br2FNO and a molecular weight of 449.12 g/mol. Its IUPAC name is (4R)-6-bromo-4-(5-bromo-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.

Molecular Properties

Compound Name(4R)-6-bromo-4-(5-bromo-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
PubChem CID41123454
Molecular FormulaC19H12Br2FNO
Molecular Weight449.12 g/mol
Exact Mass446.93
IUPAC Name(4R)-6-bromo-4-(5-bromo-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1C[C@@H](c2cc(Br)ccc2F)c2cc(Br)c3ccccc3c2N1
InChIInChI=1S/C19H12Br2FNO/c20-10-5-6-17(22)14(7-10)13-9-18(24)23-19-12-4-2-1-3-11(12)16(21)8-15(13)19/h1-8,13H,9H2,(H,23,24)/t13-/m0/s1
InChIKeyGXLIDDHKDVAJTF-ZDUSSCGKSA-N
XLogP5.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.12
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-4-(2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2884183
(4R)-6-bromo-4-(4-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2167258
6-bromo-4-(4-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2884320
(4R)-6-bromo-4-(2,3-dichlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 1269109
(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
(4R)-4-(5-bromo-2-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 704724
(9R)-9-(5-bromo-2-fluorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1289584
7-(5-bromo-2-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811594
6-bromo-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 22430736
6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane
CID 91416238
(4R)-1-(1,3-benzoxazol-2-yl)-4-(5-bromo-2-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793714

Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-4-(5-bromo-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The IUPAC name of (4R)-6-bromo-4-(5-bromo-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (CID 41123454) is (4R)-6-bromo-4-(5-bromo-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.
What is the SMILES notation for (4R)-6-bromo-4-(5-bromo-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The canonical SMILES for (4R)-6-bromo-4-(5-bromo-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is O=C1C[C@@H](c2cc(Br)ccc2F)c2cc(Br)c3ccccc3c2N1.
What is the InChIKey of (4R)-6-bromo-4-(5-bromo-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The InChIKey is GXLIDDHKDVAJTF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H12Br2FNO/c20-10-5-6-17(22)14(7-10)13-9-18(24)23-19-12-4-2-1-3-11(12)16(21)8-15(13)19/h1-8,13H,9H2,(H,23,24)/t13-/m0/s1.
What are the key properties of (4R)-6-bromo-4-(5-bromo-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
(4R)-6-bromo-4-(5-bromo-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one has a molecular weight of 449.12 g/mol, XLogP of 5.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-bromo-4-(5-bromo-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is sourced from PubChem (CID 41123454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).