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

C19H13BrClNO — CID 2884320

IUPAC6-bromo-4-(4-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1CC(c2ccc(Cl)cc2)c2cc(Br)c3ccccc3c2N1
InChIInChI=1S/C19H13BrClNO/c20-17-9-16-15(11-5-7-12(21)8-6-11)10-18(23)22-19(16)14-4-2-1-3-13(14)17/h1-9,15H,10H2,(H,22,23)
InChIKeyXESOEHWJIGWKHF-UHFFFAOYSA-N
MW386.68 g/mol
LogP5.73
Rot. Bonds1

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

6-bromo-4-(4-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (PubChem CID 2884320) has the molecular formula C19H13BrClNO and a molecular weight of 386.68 g/mol. Its IUPAC name is 6-bromo-4-(4-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.

Molecular Properties

Compound Name6-bromo-4-(4-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
PubChem CID2884320
Molecular FormulaC19H13BrClNO
Molecular Weight386.68 g/mol
Exact Mass384.99
IUPAC Name6-bromo-4-(4-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1CC(c2ccc(Cl)cc2)c2cc(Br)c3ccccc3c2N1
InChIInChI=1S/C19H13BrClNO/c20-17-9-16-15(11-5-7-12(21)8-6-11)10-18(23)22-19(16)14-4-2-1-3-13(14)17/h1-9,15H,10H2,(H,22,23)
InChIKeyXESOEHWJIGWKHF-UHFFFAOYSA-N
XLogP5.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.68
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-6-bromo-4-(3,4-dichlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 1123029
(4R)-6-bromo-4-(4-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2167258
6-bromo-4-(2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2884183
(4R)-6-bromo-4-(5-bromo-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 41123454
(4R)-6-bromo-4-(2,3-dichlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 1269109
6-bromo-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 22430736
6-bromo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 3448734
4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2879509
(4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 1268646
4-(3-hydroxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2992745
6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane
CID 91416238
4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 633987

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(4-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The IUPAC name of 6-bromo-4-(4-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (CID 2884320) is 6-bromo-4-(4-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.
What is the SMILES notation for 6-bromo-4-(4-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The canonical SMILES for 6-bromo-4-(4-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is O=C1CC(c2ccc(Cl)cc2)c2cc(Br)c3ccccc3c2N1.
What is the InChIKey of 6-bromo-4-(4-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The InChIKey is XESOEHWJIGWKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrClNO/c20-17-9-16-15(11-5-7-12(21)8-6-11)10-18(23)22-19(16)14-4-2-1-3-13(14)17/h1-9,15H,10H2,(H,22,23).
What are the key properties of 6-bromo-4-(4-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
6-bromo-4-(4-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one has a molecular weight of 386.68 g/mol, XLogP of 5.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(4-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is sourced from PubChem (CID 2884320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).