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

C19H12BrCl2NO — CID 1123029

IUPAC(4S)-6-bromo-4-(3,4-dichlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1C[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(Br)c3ccccc3c2N1
InChIInChI=1S/C19H12BrCl2NO/c20-15-8-14-13(10-5-6-16(21)17(22)7-10)9-18(24)23-19(14)12-4-2-1-3-11(12)15/h1-8,13H,9H2,(H,23,24)/t13-/m0/s1
InChIKeyZDWAKSZQZLGJIW-ZDUSSCGKSA-N
MW421.12 g/mol
LogP6.38
Rot. Bonds1

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

(4S)-6-bromo-4-(3,4-dichlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (PubChem CID 1123029) has the molecular formula C19H12BrCl2NO and a molecular weight of 421.12 g/mol. Its IUPAC name is (4S)-6-bromo-4-(3,4-dichlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.

Molecular Properties

Compound Name(4S)-6-bromo-4-(3,4-dichlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
PubChem CID1123029
Molecular FormulaC19H12BrCl2NO
Molecular Weight421.12 g/mol
Exact Mass418.95
IUPAC Name(4S)-6-bromo-4-(3,4-dichlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1C[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(Br)c3ccccc3c2N1
InChIInChI=1S/C19H12BrCl2NO/c20-15-8-14-13(10-5-6-16(21)17(22)7-10)9-18(24)23-19(14)12-4-2-1-3-11(12)15/h1-8,13H,9H2,(H,23,24)/t13-/m0/s1
InChIKeyZDWAKSZQZLGJIW-ZDUSSCGKSA-N
XLogP6.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.12
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4S)-6-bromo-4-(3,4-dichlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one with MolForge

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Related Compounds

6-bromo-4-(4-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2884320
(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-(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
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
4-(3-hydroxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2992745
4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 633987
(4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 1268646
4-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3158483

Frequently Asked Questions

What is the IUPAC name of (4S)-6-bromo-4-(3,4-dichlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The IUPAC name of (4S)-6-bromo-4-(3,4-dichlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (CID 1123029) is (4S)-6-bromo-4-(3,4-dichlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.
What is the SMILES notation for (4S)-6-bromo-4-(3,4-dichlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The canonical SMILES for (4S)-6-bromo-4-(3,4-dichlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(Br)c3ccccc3c2N1.
What is the InChIKey of (4S)-6-bromo-4-(3,4-dichlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The InChIKey is ZDWAKSZQZLGJIW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H12BrCl2NO/c20-15-8-14-13(10-5-6-16(21)17(22)7-10)9-18(24)23-19(14)12-4-2-1-3-11(12)15/h1-8,13H,9H2,(H,23,24)/t13-/m0/s1.
What are the key properties of (4S)-6-bromo-4-(3,4-dichlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
(4S)-6-bromo-4-(3,4-dichlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one has a molecular weight of 421.12 g/mol, XLogP of 6.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-bromo-4-(3,4-dichlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is sourced from PubChem (CID 1123029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).