6-chloro-1H-benzo[h]quinolin-4-one

C13H8ClNO — CID 23269753

IUPAC6-chloro-1H-benzo[h]quinolin-4-one
SMILESO=c1cc[nH]c2c1cc(Cl)c1ccccc12
InChIInChI=1S/C13H8ClNO/c14-11-7-10-12(16)5-6-15-13(10)9-4-2-1-3-8(9)11/h1-7H,(H,15,16)
InChIKeyHWHNCJFOROUFNM-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.33
Rot. Bonds

About 6-chloro-1H-benzo[h]quinolin-4-one

6-chloro-1H-benzo[h]quinolin-4-one (PubChem CID 23269753) has the molecular formula C13H8ClNO and a molecular weight of 229.67 g/mol. Its IUPAC name is 6-chloro-1H-benzo[h]quinolin-4-one.

Molecular Properties

Compound Name6-chloro-1H-benzo[h]quinolin-4-one
PubChem CID23269753
Molecular FormulaC13H8ClNO
Molecular Weight229.67 g/mol
Exact Mass229.03
IUPAC Name6-chloro-1H-benzo[h]quinolin-4-one
SMILESO=c1cc[nH]c2c1cc(Cl)c1ccccc12
InChIInChI=1S/C13H8ClNO/c14-11-7-10-12(16)5-6-15-13(10)9-4-2-1-3-8(9)11/h1-7H,(H,15,16)
InChIKeyHWHNCJFOROUFNM-UHFFFAOYSA-N
XLogP3.33
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-chloro-1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 70636824
1,10-dihydro-1,10-phenanthroline-4,7-dione
CID 158267302
benzene;1H-quinolin-4-one
CID 175272043
8-(3-bromoprop-1-enyl)-1H-quinolin-4-one
CID 169476193
1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 58898447
1,10-dihydro-1,10-phenanthroline-4,7-dione;tris(1,3-diphenylpropane-1,3-dione)
CID 160513391
7-chloro-4-oxo-1H-quinoline-6-carbonitrile
CID 53418906
8-amino-5-chloro-1H-quinolin-4-one
CID 155815463
7-chloro-6-methyl-1H-quinolin-4-one
CID 53418924
1,4-dichloronaphthalen-2-ol
CID 12578005
1H-cyclohepta[b]pyrrol-8-one
CID 55288176
8-bromo-6-(trifluoromethyl)-1H-quinolin-4-one
CID 130131648

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1H-benzo[h]quinolin-4-one?
The IUPAC name of 6-chloro-1H-benzo[h]quinolin-4-one (CID 23269753) is 6-chloro-1H-benzo[h]quinolin-4-one.
What is the SMILES notation for 6-chloro-1H-benzo[h]quinolin-4-one?
The canonical SMILES for 6-chloro-1H-benzo[h]quinolin-4-one is O=c1cc[nH]c2c1cc(Cl)c1ccccc12.
What is the InChIKey of 6-chloro-1H-benzo[h]quinolin-4-one?
The InChIKey is HWHNCJFOROUFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO/c14-11-7-10-12(16)5-6-15-13(10)9-4-2-1-3-8(9)11/h1-7H,(H,15,16).
What are the key properties of 6-chloro-1H-benzo[h]quinolin-4-one?
6-chloro-1H-benzo[h]quinolin-4-one has a molecular weight of 229.67 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1H-benzo[h]quinolin-4-one is sourced from PubChem (CID 23269753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).