(9-methoxy-4-oxo-6,7-dihydrobenzo[a]quinolizin-2-yl)methyl acetate

C17H17NO4 — CID 66829173

IUPAC(9-methoxy-4-oxo-6,7-dihydrobenzo[a]quinolizin-2-yl)methyl acetate
SMILESCOc1ccc2c(c1)CCn1c-2cc(COC(C)=O)cc1=O
InChIInChI=1S/C17H17NO4/c1-11(19)22-10-12-7-16-15-4-3-14(21-2)9-13(15)5-6-18(16)17(20)8-12/h3-4,7-9H,5-6,10H2,1-2H3
InChIKeyGCIPSFKOFJHAIO-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.14
Rot. Bonds3

About (9-methoxy-4-oxo-6,7-dihydrobenzo[a]quinolizin-2-yl)methyl acetate

(9-methoxy-4-oxo-6,7-dihydrobenzo[a]quinolizin-2-yl)methyl acetate (PubChem CID 66829173) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (9-methoxy-4-oxo-6,7-dihydrobenzo[a]quinolizin-2-yl)methyl acetate.

Molecular Properties

Compound Name(9-methoxy-4-oxo-6,7-dihydrobenzo[a]quinolizin-2-yl)methyl acetate
PubChem CID66829173
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(9-methoxy-4-oxo-6,7-dihydrobenzo[a]quinolizin-2-yl)methyl acetate
SMILESCOc1ccc2c(c1)CCn1c-2cc(COC(C)=O)cc1=O
InChIInChI=1S/C17H17NO4/c1-11(19)22-10-12-7-16-15-4-3-14(21-2)9-13(15)5-6-18(16)17(20)8-12/h3-4,7-9H,5-6,10H2,1-2H3
InChIKeyGCIPSFKOFJHAIO-UHFFFAOYSA-N
XLogP2.14
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (9-methoxy-4-oxo-6,7-dihydrobenzo[a]quinolizin-2-yl)methyl acetate?
The IUPAC name of (9-methoxy-4-oxo-6,7-dihydrobenzo[a]quinolizin-2-yl)methyl acetate (CID 66829173) is (9-methoxy-4-oxo-6,7-dihydrobenzo[a]quinolizin-2-yl)methyl acetate.
What is the SMILES notation for (9-methoxy-4-oxo-6,7-dihydrobenzo[a]quinolizin-2-yl)methyl acetate?
The canonical SMILES for (9-methoxy-4-oxo-6,7-dihydrobenzo[a]quinolizin-2-yl)methyl acetate is COc1ccc2c(c1)CCn1c-2cc(COC(C)=O)cc1=O.
What is the InChIKey of (9-methoxy-4-oxo-6,7-dihydrobenzo[a]quinolizin-2-yl)methyl acetate?
The InChIKey is GCIPSFKOFJHAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11(19)22-10-12-7-16-15-4-3-14(21-2)9-13(15)5-6-18(16)17(20)8-12/h3-4,7-9H,5-6,10H2,1-2H3.
What are the key properties of (9-methoxy-4-oxo-6,7-dihydrobenzo[a]quinolizin-2-yl)methyl acetate?
(9-methoxy-4-oxo-6,7-dihydrobenzo[a]quinolizin-2-yl)methyl acetate has a molecular weight of 299.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methoxy-4-oxo-6,7-dihydrobenzo[a]quinolizin-2-yl)methyl acetate is sourced from PubChem (CID 66829173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).