9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

C15H11F2NO3 — CID 11185401

IUPAC9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCC1Cc2cc(F)c(F)cc2-c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C15H11F2NO3/c1-7-2-8-3-11(16)12(17)4-9(8)13-5-14(19)10(15(20)21)6-18(7)13/h3-7H,2H2,1H3,(H,20,21)
InChIKeyRSSBDHNIHHFSII-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.61
Rot. Bonds1

About 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 11185401) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
PubChem CID11185401
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCC1Cc2cc(F)c(F)cc2-c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C15H11F2NO3/c1-7-2-8-3-11(16)12(17)4-9(8)13-5-14(19)10(15(20)21)6-18(7)13/h3-7H,2H2,1H3,(H,20,21)
InChIKeyRSSBDHNIHHFSII-UHFFFAOYSA-N
XLogP2.61
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 11185401) is 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is CC1Cc2cc(F)c(F)cc2-c2cc(=O)c(C(=O)O)cn21.
What is the InChIKey of 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The InChIKey is RSSBDHNIHHFSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c1-7-2-8-3-11(16)12(17)4-9(8)13-5-14(19)10(15(20)21)6-18(7)13/h3-7H,2H2,1H3,(H,20,21).
What are the key properties of 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 291.25 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 11185401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).