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

C14H14ClNO — CID 10514668

IUPAC8-chloro-1-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCC1CC(=O)C=C2CCc3cc(Cl)ccc3N21
InChIInChI=1S/C14H14ClNO/c1-9-6-13(17)8-12-4-2-10-7-11(15)3-5-14(10)16(9)12/h3,5,7-9H,2,4,6H2,1H3
InChIKeyMOBQBGBOLOWQDH-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.34
Rot. Bonds

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

8-chloro-1-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (PubChem CID 10514668) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 8-chloro-1-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name8-chloro-1-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
PubChem CID10514668
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name8-chloro-1-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCC1CC(=O)C=C2CCc3cc(Cl)ccc3N21
InChIInChI=1S/C14H14ClNO/c1-9-6-13(17)8-12-4-2-10-7-11(15)3-5-14(10)16(9)12/h3,5,7-9H,2,4,6H2,1H3
InChIKeyMOBQBGBOLOWQDH-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The IUPAC name of 8-chloro-1-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (CID 10514668) is 8-chloro-1-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for 8-chloro-1-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for 8-chloro-1-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is CC1CC(=O)C=C2CCc3cc(Cl)ccc3N21.
What is the InChIKey of 8-chloro-1-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The InChIKey is MOBQBGBOLOWQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-9-6-13(17)8-12-4-2-10-7-11(15)3-5-14(10)16(9)12/h3,5,7-9H,2,4,6H2,1H3.
What are the key properties of 8-chloro-1-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
8-chloro-1-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one has a molecular weight of 247.72 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 10514668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).