4-chloro-6,7-dihydrobenzo[a]quinolizin-2-one

C13H10ClNO — CID 122642055

IUPAC4-chloro-6,7-dihydrobenzo[a]quinolizin-2-one
SMILESO=c1cc(Cl)n2c(c1)-c1ccccc1CC2
InChIInChI=1S/C13H10ClNO/c14-13-8-10(16)7-12-11-4-2-1-3-9(11)5-6-15(12)13/h1-4,7-8H,5-6H2
InChIKeyKJHHTYNNPJHZPE-UHFFFAOYSA-N
MW231.68 g/mol
LogP2.72
Rot. Bonds

About 4-chloro-6,7-dihydrobenzo[a]quinolizin-2-one

4-chloro-6,7-dihydrobenzo[a]quinolizin-2-one (PubChem CID 122642055) has the molecular formula C13H10ClNO and a molecular weight of 231.68 g/mol. Its IUPAC name is 4-chloro-6,7-dihydrobenzo[a]quinolizin-2-one.

Molecular Properties

Compound Name4-chloro-6,7-dihydrobenzo[a]quinolizin-2-one
PubChem CID122642055
Molecular FormulaC13H10ClNO
Molecular Weight231.68 g/mol
Exact Mass231.05
IUPAC Name4-chloro-6,7-dihydrobenzo[a]quinolizin-2-one
SMILESO=c1cc(Cl)n2c(c1)-c1ccccc1CC2
InChIInChI=1S/C13H10ClNO/c14-13-8-10(16)7-12-11-4-2-1-3-9(11)5-6-15(12)13/h1-4,7-8H,5-6H2
InChIKeyKJHHTYNNPJHZPE-UHFFFAOYSA-N
XLogP2.72
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-dihydrobenzo[a]quinolizin-2-one?
The IUPAC name of 4-chloro-6,7-dihydrobenzo[a]quinolizin-2-one (CID 122642055) is 4-chloro-6,7-dihydrobenzo[a]quinolizin-2-one.
What is the SMILES notation for 4-chloro-6,7-dihydrobenzo[a]quinolizin-2-one?
The canonical SMILES for 4-chloro-6,7-dihydrobenzo[a]quinolizin-2-one is O=c1cc(Cl)n2c(c1)-c1ccccc1CC2.
What is the InChIKey of 4-chloro-6,7-dihydrobenzo[a]quinolizin-2-one?
The InChIKey is KJHHTYNNPJHZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO/c14-13-8-10(16)7-12-11-4-2-1-3-9(11)5-6-15(12)13/h1-4,7-8H,5-6H2.
What are the key properties of 4-chloro-6,7-dihydrobenzo[a]quinolizin-2-one?
4-chloro-6,7-dihydrobenzo[a]quinolizin-2-one has a molecular weight of 231.68 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-dihydrobenzo[a]quinolizin-2-one is sourced from PubChem (CID 122642055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).