8,9-dichloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one

C13H11Cl2NO — CID 19791550

IUPAC8,9-dichloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
SMILESO=C1CCC2=C(CCc3cc(Cl)c(Cl)cc32)N1
InChIInChI=1S/C13H11Cl2NO/c14-10-5-7-1-3-12-8(2-4-13(17)16-12)9(7)6-11(10)15/h5-6H,1-4H2,(H,16,17)
InChIKeyGCVVZLBJPQJWIS-UHFFFAOYSA-N
MW268.14 g/mol
LogP3.56
Rot. Bonds

About 8,9-dichloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one

8,9-dichloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one (PubChem CID 19791550) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 8,9-dichloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name8,9-dichloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
PubChem CID19791550
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name8,9-dichloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
SMILESO=C1CCC2=C(CCc3cc(Cl)c(Cl)cc32)N1
InChIInChI=1S/C13H11Cl2NO/c14-10-5-7-1-3-12-8(2-4-13(17)16-12)9(7)6-11(10)15/h5-6H,1-4H2,(H,16,17)
InChIKeyGCVVZLBJPQJWIS-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,9-dichloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of 8,9-dichloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one (CID 19791550) is 8,9-dichloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for 8,9-dichloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for 8,9-dichloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one is O=C1CCC2=C(CCc3cc(Cl)c(Cl)cc32)N1.
What is the InChIKey of 8,9-dichloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The InChIKey is GCVVZLBJPQJWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c14-10-5-7-1-3-12-8(2-4-13(17)16-12)9(7)6-11(10)15/h5-6H,1-4H2,(H,16,17).
What are the key properties of 8,9-dichloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
8,9-dichloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one has a molecular weight of 268.14 g/mol, XLogP of 3.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dichloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 19791550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).