8-chloro-9,10-dimethoxy-6-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide

C17H15ClN2O5 — CID 118285358

IUPAC8-chloro-9,10-dimethoxy-6-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
SMILESCOc1cc2c(c(Cl)c1OC)CC(C)n1cc(C(=O)N=O)c(=O)cc1-2
InChIInChI=1S/C17H15ClN2O5/c1-8-4-10-9(5-14(24-2)16(25-3)15(10)18)12-6-13(21)11(7-20(8)12)17(22)19-23/h5-8H,4H2,1-3H3
InChIKeyOVFLXLFIGMCSDV-UHFFFAOYSA-N
MW362.77 g/mol
LogP3.21
Rot. Bonds3

About 8-chloro-9,10-dimethoxy-6-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide

8-chloro-9,10-dimethoxy-6-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide (PubChem CID 118285358) has the molecular formula C17H15ClN2O5 and a molecular weight of 362.77 g/mol. Its IUPAC name is 8-chloro-9,10-dimethoxy-6-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide.

Molecular Properties

Compound Name8-chloro-9,10-dimethoxy-6-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
PubChem CID118285358
Molecular FormulaC17H15ClN2O5
Molecular Weight362.77 g/mol
Exact Mass362.07
IUPAC Name8-chloro-9,10-dimethoxy-6-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
SMILESCOc1cc2c(c(Cl)c1OC)CC(C)n1cc(C(=O)N=O)c(=O)cc1-2
InChIInChI=1S/C17H15ClN2O5/c1-8-4-10-9(5-14(24-2)16(25-3)15(10)18)12-6-13(21)11(7-20(8)12)17(22)19-23/h5-8H,4H2,1-3H3
InChIKeyOVFLXLFIGMCSDV-UHFFFAOYSA-N
XLogP3.21
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,10-diethyl-9-methoxy-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 118285362
10-chloro-9-ethoxy-6-ethyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 118285313
6-tert-butyl-9-heptoxy-10-methoxy-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 134425532
(6R)-9-(but-3-enylamino)-10-methoxy-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 126537927
9-(5-acetamidopentoxy)-6-tert-butyl-10-methoxy-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 118285521
10-chloro-6-ethyl-9-(2-hydroxyethoxy)-7-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 118285251
9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251739
10-hydroxy-6-(1-methoxy-2-methylpropan-2-yl)-9-(3-methoxypropoxy)-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 130195011
9,10-dimethoxy-2-oxo-6-(trifluoromethyl)-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118252085
11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 118285411
6-ethyl-10-hydroxy-N,2-dioxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 118285323
(1S)-10-ethyl-11-(3-methoxypropoxy)-N,5-dioxo-2-azatetracyclo[12.5.0.02,7.08,13]nonadeca-3,6,8(13),9,11-pentaene-4-carboxamide
CID 163904315

Frequently Asked Questions

What is the IUPAC name of 8-chloro-9,10-dimethoxy-6-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
The IUPAC name of 8-chloro-9,10-dimethoxy-6-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide (CID 118285358) is 8-chloro-9,10-dimethoxy-6-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide.
What is the SMILES notation for 8-chloro-9,10-dimethoxy-6-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
The canonical SMILES for 8-chloro-9,10-dimethoxy-6-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide is COc1cc2c(c(Cl)c1OC)CC(C)n1cc(C(=O)N=O)c(=O)cc1-2.
What is the InChIKey of 8-chloro-9,10-dimethoxy-6-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
The InChIKey is OVFLXLFIGMCSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5/c1-8-4-10-9(5-14(24-2)16(25-3)15(10)18)12-6-13(21)11(7-20(8)12)17(22)19-23/h5-8H,4H2,1-3H3.
What are the key properties of 8-chloro-9,10-dimethoxy-6-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
8-chloro-9,10-dimethoxy-6-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide has a molecular weight of 362.77 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-9,10-dimethoxy-6-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide is sourced from PubChem (CID 118285358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).