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

C13H12ClNO — CID 10466539

IUPAC8-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
SMILESO=C1CCC2=C(CCc3cc(Cl)ccc32)N1
InChIInChI=1S/C13H12ClNO/c14-9-2-3-10-8(7-9)1-5-12-11(10)4-6-13(16)15-12/h2-3,7H,1,4-6H2,(H,15,16)
InChIKeyHPNWYKAOJZXFSL-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.91
Rot. Bonds

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

8-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one (PubChem CID 10466539) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 8-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name8-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
PubChem CID10466539
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name8-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
SMILESO=C1CCC2=C(CCc3cc(Cl)ccc32)N1
InChIInChI=1S/C13H12ClNO/c14-9-2-3-10-8(7-9)1-5-12-11(10)4-6-13(16)15-12/h2-3,7H,1,4-6H2,(H,15,16)
InChIKeyHPNWYKAOJZXFSL-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one with MolForge

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Related Compounds

8-Chloro-4-methyl-1,4,5,6-tetrahydro-2H-benzo[f]quinolin-3-one
CID 10243712
2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
CID 322615
8-Chloro-10b-methyl-1,4,6,10b-tetrahydro-2H-benzo[f]quinolin-3-one
CID 10467173
7-Chloro-3-methyl-1(2H)-isoquinolinone
CID 23084656
6-Chloro-3-methyl-1,2-dihydroisoquinolin-1-one
CID 84665156
2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2-methylbutan-2-yl)acetamide
CID 67968202
N-tert-butyl-2-(4-chloro-3-fluoro-2-methylphenyl)acetamide
CID 67968228
4-(3-chloro-2-fluorophenyl)-3,4,8,9-tetrahydro-1H-benzo[h]quinolin-2-one
CID 89881482
4-(3,4-Dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 2997148
(10bR)-8-chloro-10b-methyl-1,2,4,6-tetrahydrobenzo[f]quinolin-3-one
CID 10857804
8,9-dichloro-1,4,5,6-tetrahydrobenzo[f]quinolin-3(2H)-one
CID 19791550
10-chloro-1,4,5,6-tetrahydrobenzo[f]quinolin-3(2H)-one
CID 19791560

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of 8-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one (CID 10466539) is 8-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for 8-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for 8-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one is O=C1CCC2=C(CCc3cc(Cl)ccc32)N1.
What is the InChIKey of 8-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The InChIKey is HPNWYKAOJZXFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-9-2-3-10-8(7-9)1-5-12-11(10)4-6-13(16)15-12/h2-3,7H,1,4-6H2,(H,15,16).
What are the key properties of 8-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
8-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one has a molecular weight of 233.70 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 10466539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).