8-chloro-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one

C13H12ClNO — CID 10847272

IUPAC8-chloro-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESO=C1C=C2CCc3cc(Cl)ccc3N2CC1
InChIInChI=1S/C13H12ClNO/c14-10-2-4-13-9(7-10)1-3-11-8-12(16)5-6-15(11)13/h2,4,7-8H,1,3,5-6H2
InChIKeyBRTGJFMJRRWDTL-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.95
Rot. Bonds

About 8-chloro-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one

8-chloro-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (PubChem CID 10847272) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 8-chloro-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name8-chloro-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
PubChem CID10847272
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name8-chloro-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESO=C1C=C2CCc3cc(Cl)ccc3N2CC1
InChIInChI=1S/C13H12ClNO/c14-10-2-4-13-9(7-10)1-3-11-8-12(16)5-6-15(11)13/h2,4,7-8H,1,3,5-6H2
InChIKeyBRTGJFMJRRWDTL-UHFFFAOYSA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The IUPAC name of 8-chloro-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (CID 10847272) is 8-chloro-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for 8-chloro-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for 8-chloro-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is O=C1C=C2CCc3cc(Cl)ccc3N2CC1.
What is the InChIKey of 8-chloro-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The InChIKey is BRTGJFMJRRWDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-10-2-4-13-9(7-10)1-3-11-8-12(16)5-6-15(11)13/h2,4,7-8H,1,3,5-6H2.
What are the key properties of 8-chloro-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
8-chloro-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one has a molecular weight of 233.70 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 10847272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).