4-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

C14H11NO3 — CID 22266462

IUPAC4-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESO=C(O)c1ccc2n(c1=O)CCc1ccccc1-2
InChIInChI=1S/C14H11NO3/c16-13-11(14(17)18)5-6-12-10-4-2-1-3-9(10)7-8-15(12)13/h1-6H,7-8H2,(H,17,18)
InChIKeyWDMHEXPUTCKVCN-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.77
Rot. Bonds1

About 4-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

4-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 22266462) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
PubChem CID22266462
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name4-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESO=C(O)c1ccc2n(c1=O)CCc1ccccc1-2
InChIInChI=1S/C14H11NO3/c16-13-11(14(17)18)5-6-12-10-4-2-1-3-9(10)7-8-15(12)13/h1-6H,7-8H2,(H,17,18)
InChIKeyWDMHEXPUTCKVCN-UHFFFAOYSA-N
XLogP1.77
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-4-oxoquinolizine-3-carboxylic acid
CID 14600462
1-[(6-chloro-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-oxo-4H-quinolizine-3-carboxylic acid
CID 44232443
1-[(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-oxoquinolizine-3-carboxylic acid
CID 53317613
4-Oxo-1-[(6-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4H-quinolizine-3-carboxylic acid
CID 53318822
1-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-oxoquinolizine-3-carboxylic acid
CID 44230517
1-[[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-4-oxoquinolizine-3-carboxylic acid
CID 53320222
1-[[4-(4-Methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid
CID 53321535
1-[(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-oxoquinolizine-3-carboxylic acid
CID 53322867
4-oxo-1-[(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]quinolizine-3-carboxylic acid
CID 53322868
1-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-oxoquinolizine-3-carboxylic acid
CID 53324031
1-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-oxoquinolizine-3-carboxylic acid
CID 53324190
1-[(6-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-oxo-4H-quinolizine-3-carboxylic acid
CID 53322866

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of 4-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 22266462) is 4-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for 4-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is O=C(O)c1ccc2n(c1=O)CCc1ccccc1-2.
What is the InChIKey of 4-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The InChIKey is WDMHEXPUTCKVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-13-11(14(17)18)5-6-12-10-4-2-1-3-9(10)7-8-15(12)13/h1-6H,7-8H2,(H,17,18).
What are the key properties of 4-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
4-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 22266462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).