(1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one

C20H16BrNO2 — CID 1169303

IUPAC(1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESCOc1ccc(Br)cc1[C@@H]1CC(=O)Nc2ccc3ccccc3c21
InChIInChI=1S/C20H16BrNO2/c1-24-18-9-7-13(21)10-15(18)16-11-19(23)22-17-8-6-12-4-2-3-5-14(12)20(16)17/h2-10,16H,11H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyYLUYKXUYBZRDRJ-INIZCTEOSA-N
MW382.26 g/mol
LogP5.09
Rot. Bonds2

About (1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one

(1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (PubChem CID 1169303) has the molecular formula C20H16BrNO2 and a molecular weight of 382.26 g/mol. Its IUPAC name is (1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name(1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
PubChem CID1169303
Molecular FormulaC20H16BrNO2
Molecular Weight382.26 g/mol
Exact Mass381.04
IUPAC Name(1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESCOc1ccc(Br)cc1[C@@H]1CC(=O)Nc2ccc3ccccc3c21
InChIInChI=1S/C20H16BrNO2/c1-24-18-9-7-13(21)10-15(18)16-11-19(23)22-17-8-6-12-4-2-3-5-14(12)20(16)17/h2-10,16H,11H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyYLUYKXUYBZRDRJ-INIZCTEOSA-N
XLogP5.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.26
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 630483
(1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 801649
(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 673087
(1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2234146
(7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42556194
1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 19590580
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
(1S)-1-(2,4-dichlorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 673088
6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane
CID 91416238
(4S)-4-(5-bromo-2-methoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833121
(5R)-5-(5-bromo-2-methoxyphenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 136909984

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of (1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (CID 1169303) is (1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for (1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for (1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is COc1ccc(Br)cc1[C@@H]1CC(=O)Nc2ccc3ccccc3c21.
What is the InChIKey of (1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The InChIKey is YLUYKXUYBZRDRJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H16BrNO2/c1-24-18-9-7-13(21)10-15(18)16-11-19(23)22-17-8-6-12-4-2-3-5-14(12)20(16)17/h2-10,16H,11H2,1H3,(H,22,23)/t16-/m0/s1.
What are the key properties of (1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
(1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one has a molecular weight of 382.26 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 1169303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).