6,8-dichloro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one

C12H11Cl2NO — CID 22462444

IUPAC6,8-dichloro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one
SMILESO=C1Nc2c(Cl)cc(Cl)cc2C2CCCC12
InChIInChI=1S/C12H11Cl2NO/c13-6-4-9-7-2-1-3-8(7)12(16)15-11(9)10(14)5-6/h4-5,7-8H,1-3H2,(H,15,16)
InChIKeyKVTRXNABKYWGDH-UHFFFAOYSA-N
MW256.13 g/mol
LogP3.83
Rot. Bonds

About 6,8-dichloro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one

6,8-dichloro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one (PubChem CID 22462444) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is 6,8-dichloro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one
PubChem CID22462444
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name6,8-dichloro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one
SMILESO=C1Nc2c(Cl)cc(Cl)cc2C2CCCC12
InChIInChI=1S/C12H11Cl2NO/c13-6-4-9-7-2-1-3-8(7)12(16)15-11(9)10(14)5-6/h4-5,7-8H,1-3H2,(H,15,16)
InChIKeyKVTRXNABKYWGDH-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Chloro-1,2,3,4-tetrahydroquinolin-2-one
CID 11240825
6-Chloro-4,4-dimethyl-3,4-dihydroquinolin-2(1H)-one
CID 53408407
2,4-Dichlorophenanthridin-6(5h)-one
CID 270674
5,7-Dichloro-1,3-dihydro-2H-indol-2-one
CID 44769645
8-Chloro-3a-fluoro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one
CID 18516353
2(1H)-Quinolinone, 6-chloro-3,4-dihydro-3-methyl-
CID 10821699
4-phenyl-5,6,8-trichloro-3,4-dihydroquinoline-2(1H)one
CID 139055821
3,6,8-trichloro-1,3-dimethyl-4-phenyl-4H-quinolin-2-one
CID 146162353
8-chloro-4-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 105508611
6-chloro-4-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 105508612
6,8-dichloro-4-(2-chloro-3,3,3-trifluoropropyl)-3,4-dihydro-1H-quinolin-2-one
CID 162539570
6,8-dichloro-4-(3,3-difluoroprop-2-enyl)-3,4-dihydro-1H-quinolin-2-one
CID 162539578

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one?
The IUPAC name of 6,8-dichloro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one (CID 22462444) is 6,8-dichloro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one.
What is the SMILES notation for 6,8-dichloro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one?
The canonical SMILES for 6,8-dichloro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one is O=C1Nc2c(Cl)cc(Cl)cc2C2CCCC12.
What is the InChIKey of 6,8-dichloro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one?
The InChIKey is KVTRXNABKYWGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c13-6-4-9-7-2-1-3-8(7)12(16)15-11(9)10(14)5-6/h4-5,7-8H,1-3H2,(H,15,16).
What are the key properties of 6,8-dichloro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one?
6,8-dichloro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one has a molecular weight of 256.13 g/mol, XLogP of 3.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one is sourced from PubChem (CID 22462444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).