(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl acetate

C22H18ClNO3 — CID 14770154

IUPAC(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl acetate
SMILESCC(=O)OCc1cc(-c2ccccc2)c(=O)n2c1-c1cc(Cl)ccc1CC2
InChIInChI=1S/C22H18ClNO3/c1-14(25)27-13-17-11-20(15-5-3-2-4-6-15)22(26)24-10-9-16-7-8-18(23)12-19(16)21(17)24/h2-8,11-12H,9-10,13H2,1H3
InChIKeyWKWODYBBIKZYAK-UHFFFAOYSA-N
MW379.84 g/mol
LogP4.45
Rot. Bonds3

About (10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl acetate

(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl acetate (PubChem CID 14770154) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is (10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl acetate.

Molecular Properties

Compound Name(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl acetate
PubChem CID14770154
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC Name(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl acetate
SMILESCC(=O)OCc1cc(-c2ccccc2)c(=O)n2c1-c1cc(Cl)ccc1CC2
InChIInChI=1S/C22H18ClNO3/c1-14(25)27-13-17-11-20(15-5-3-2-4-6-15)22(26)24-10-9-16-7-8-18(23)12-19(16)21(17)24/h2-8,11-12H,9-10,13H2,1H3
InChIKeyWKWODYBBIKZYAK-UHFFFAOYSA-N
XLogP4.45
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl acetate?
The IUPAC name of (10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl acetate (CID 14770154) is (10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl acetate.
What is the SMILES notation for (10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl acetate?
The canonical SMILES for (10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl acetate is CC(=O)OCc1cc(-c2ccccc2)c(=O)n2c1-c1cc(Cl)ccc1CC2.
What is the InChIKey of (10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl acetate?
The InChIKey is WKWODYBBIKZYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO3/c1-14(25)27-13-17-11-20(15-5-3-2-4-6-15)22(26)24-10-9-16-7-8-18(23)12-19(16)21(17)24/h2-8,11-12H,9-10,13H2,1H3.
What are the key properties of (10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl acetate?
(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl acetate has a molecular weight of 379.84 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl acetate is sourced from PubChem (CID 14770154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).