8-chloro-4,6-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one

C15H16ClNO — CID 10587522

IUPAC8-chloro-4,6-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCC1=C2CC(C)c3cc(Cl)ccc3N2CCC1=O
InChIInChI=1S/C15H16ClNO/c1-9-7-14-10(2)15(18)5-6-17(14)13-4-3-11(16)8-12(9)13/h3-4,8-9H,5-7H2,1-2H3
InChIKeyCDARSTIBNDQLRM-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.90
Rot. Bonds

About 8-chloro-4,6-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one

8-chloro-4,6-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (PubChem CID 10587522) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 8-chloro-4,6-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name8-chloro-4,6-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
PubChem CID10587522
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name8-chloro-4,6-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCC1=C2CC(C)c3cc(Cl)ccc3N2CCC1=O
InChIInChI=1S/C15H16ClNO/c1-9-7-14-10(2)15(18)5-6-17(14)13-4-3-11(16)8-12(9)13/h3-4,8-9H,5-7H2,1-2H3
InChIKeyCDARSTIBNDQLRM-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4,6-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The IUPAC name of 8-chloro-4,6-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (CID 10587522) is 8-chloro-4,6-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for 8-chloro-4,6-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for 8-chloro-4,6-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is CC1=C2CC(C)c3cc(Cl)ccc3N2CCC1=O.
What is the InChIKey of 8-chloro-4,6-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The InChIKey is CDARSTIBNDQLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-9-7-14-10(2)15(18)5-6-17(14)13-4-3-11(16)8-12(9)13/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 8-chloro-4,6-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
8-chloro-4,6-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one has a molecular weight of 261.75 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4,6-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 10587522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).