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

C13H12ClNO — CID 19791560

IUPAC10-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
SMILESO=C1CCC2=C(CCc3cccc(Cl)c32)N1
InChIInChI=1S/C13H12ClNO/c14-10-3-1-2-8-4-6-11-9(13(8)10)5-7-12(16)15-11/h1-3H,4-7H2,(H,15,16)
InChIKeyYQWJSNZOIPJSOW-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.91
Rot. Bonds

About 10-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one

10-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one (PubChem CID 19791560) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 10-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name10-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
PubChem CID19791560
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name10-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
SMILESO=C1CCC2=C(CCc3cccc(Cl)c32)N1
InChIInChI=1S/C13H12ClNO/c14-10-3-1-2-8-4-6-11-9(13(8)10)5-7-12(16)15-11/h1-3H,4-7H2,(H,15,16)
InChIKeyYQWJSNZOIPJSOW-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 10-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
8-chloro-1,4,5,6-tetrahydrobenzo[f]quinolin-3(2H)-one
CID 10466539
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
4-(2-Chloro-6-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 5295306
4-(3-chloro-2-fluorophenyl)-3,4,8,9-tetrahydro-1H-benzo[h]quinolin-2-one
CID 89881482
[4-(2-Chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]malononitrile
CID 129871012
(4S)-4-(2-chloro-6-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 1510596
(4R)-4-(2-chloro-6-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 1510597
4-(2-Chlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 2997337
4-(2,6-Dichlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 6462186
(10bR)-8-chloro-10b-methyl-1,2,4,6-tetrahydrobenzo[f]quinolin-3-one
CID 10857804

Frequently Asked Questions

What is the IUPAC name of 10-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of 10-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one (CID 19791560) is 10-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for 10-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for 10-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one is O=C1CCC2=C(CCc3cccc(Cl)c32)N1.
What is the InChIKey of 10-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The InChIKey is YQWJSNZOIPJSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-10-3-1-2-8-4-6-11-9(13(8)10)5-7-12(16)15-11/h1-3H,4-7H2,(H,15,16).
What are the key properties of 10-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
10-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 10-chloro-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 19791560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).