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

C19H13Cl2NO — CID 673088

IUPAC(1S)-1-(2,4-dichlorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESO=C1C[C@H](c2ccc(Cl)cc2Cl)c2c(ccc3ccccc23)N1
InChIInChI=1S/C19H13Cl2NO/c20-12-6-7-14(16(21)9-12)15-10-18(23)22-17-8-5-11-3-1-2-4-13(11)19(15)17/h1-9,15H,10H2,(H,22,23)/t15-/m1/s1
InChIKeyOXKAFJDIRGFIAB-OAHLLOKOSA-N
MW342.23 g/mol
LogP5.62
Rot. Bonds1

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

(1S)-1-(2,4-dichlorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (PubChem CID 673088) has the molecular formula C19H13Cl2NO and a molecular weight of 342.23 g/mol. Its IUPAC name is (1S)-1-(2,4-dichlorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name(1S)-1-(2,4-dichlorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
PubChem CID673088
Molecular FormulaC19H13Cl2NO
Molecular Weight342.23 g/mol
Exact Mass341.04
IUPAC Name(1S)-1-(2,4-dichlorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESO=C1C[C@H](c2ccc(Cl)cc2Cl)c2c(ccc3ccccc23)N1
InChIInChI=1S/C19H13Cl2NO/c20-12-6-7-14(16(21)9-12)15-10-18(23)22-17-8-5-11-3-1-2-4-13(11)19(15)17/h1-9,15H,10H2,(H,22,23)/t15-/m1/s1
InChIKeyOXKAFJDIRGFIAB-OAHLLOKOSA-N
XLogP5.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.23
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 118511993
1-(4-fluorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2933284
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
(1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 1169303
(1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2231068
1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2857782
(6S)-6-(2,4-dichlorophenyl)-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),10,12,14,16-pentaene-4,8-dione
CID 135924901
3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135621381
2-amino-5-(2,4-dichlorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135472186
(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 673087
4-(2,4-dichlorophenyl)piperidine-2,6-dione
CID 63156604

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-dichlorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of (1S)-1-(2,4-dichlorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (CID 673088) is (1S)-1-(2,4-dichlorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for (1S)-1-(2,4-dichlorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for (1S)-1-(2,4-dichlorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is O=C1C[C@H](c2ccc(Cl)cc2Cl)c2c(ccc3ccccc23)N1.
What is the InChIKey of (1S)-1-(2,4-dichlorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The InChIKey is OXKAFJDIRGFIAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H13Cl2NO/c20-12-6-7-14(16(21)9-12)15-10-18(23)22-17-8-5-11-3-1-2-4-13(11)19(15)17/h1-9,15H,10H2,(H,22,23)/t15-/m1/s1.
What are the key properties of (1S)-1-(2,4-dichlorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
(1S)-1-(2,4-dichlorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one has a molecular weight of 342.23 g/mol, XLogP of 5.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-dichlorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 673088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).