5,7-dichloro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one

C12H9Cl2NO — CID 61381816

IUPAC5,7-dichloro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
SMILESO=c1c2c([nH]c3c(Cl)cc(Cl)cc13)CCC2
InChIInChI=1S/C12H9Cl2NO/c13-6-4-8-11(9(14)5-6)15-10-3-1-2-7(10)12(8)16/h4-5H,1-3H2,(H,15,16)
InChIKeyOJKXNWJNCUXWJI-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.32
Rot. Bonds

About 5,7-dichloro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one

5,7-dichloro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one (PubChem CID 61381816) has the molecular formula C12H9Cl2NO and a molecular weight of 254.12 g/mol. Its IUPAC name is 5,7-dichloro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one.

Molecular Properties

Compound Name5,7-dichloro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
PubChem CID61381816
Molecular FormulaC12H9Cl2NO
Molecular Weight254.12 g/mol
Exact Mass253.01
IUPAC Name5,7-dichloro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
SMILESO=c1c2c([nH]c3c(Cl)cc(Cl)cc13)CCC2
InChIInChI=1S/C12H9Cl2NO/c13-6-4-8-11(9(14)5-6)15-10-3-1-2-7(10)12(8)16/h4-5H,1-3H2,(H,15,16)
InChIKeyOJKXNWJNCUXWJI-UHFFFAOYSA-N
XLogP3.32
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
The IUPAC name of 5,7-dichloro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one (CID 61381816) is 5,7-dichloro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one.
What is the SMILES notation for 5,7-dichloro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
The canonical SMILES for 5,7-dichloro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one is O=c1c2c([nH]c3c(Cl)cc(Cl)cc13)CCC2.
What is the InChIKey of 5,7-dichloro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
The InChIKey is OJKXNWJNCUXWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO/c13-6-4-8-11(9(14)5-6)15-10-3-1-2-7(10)12(8)16/h4-5H,1-3H2,(H,15,16).
What are the key properties of 5,7-dichloro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
5,7-dichloro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one has a molecular weight of 254.12 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one is sourced from PubChem (CID 61381816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).