ethyl 2-benzamido-8,9-dimethoxy-1-oxo-5,6-dihydrobenzo[f]quinolizine-4-carboxylate

C25H24N2O6 — CID 10411376

IUPACethyl 2-benzamido-8,9-dimethoxy-1-oxo-5,6-dihydrobenzo[f]quinolizine-4-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2ccccc2)c(=O)n2c1CCc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C25H24N2O6/c1-4-33-25(30)17-13-18(26-23(28)15-8-6-5-7-9-15)24(29)27-19(17)11-10-16-12-21(31-2)22(32-3)14-20(16)27/h5-9,12-14H,4,10-11H2,1-3H3,(H,26,28)
InChIKeyKYBAUEHXXLAHPH-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.38
Rot. Bonds6

About ethyl 2-benzamido-8,9-dimethoxy-1-oxo-5,6-dihydrobenzo[f]quinolizine-4-carboxylate

ethyl 2-benzamido-8,9-dimethoxy-1-oxo-5,6-dihydrobenzo[f]quinolizine-4-carboxylate (PubChem CID 10411376) has the molecular formula C25H24N2O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is ethyl 2-benzamido-8,9-dimethoxy-1-oxo-5,6-dihydrobenzo[f]quinolizine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzamido-8,9-dimethoxy-1-oxo-5,6-dihydrobenzo[f]quinolizine-4-carboxylate
PubChem CID10411376
Molecular FormulaC25H24N2O6
Molecular Weight448.48 g/mol
Exact Mass448.16
IUPAC Nameethyl 2-benzamido-8,9-dimethoxy-1-oxo-5,6-dihydrobenzo[f]quinolizine-4-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2ccccc2)c(=O)n2c1CCc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C25H24N2O6/c1-4-33-25(30)17-13-18(26-23(28)15-8-6-5-7-9-15)24(29)27-19(17)11-10-16-12-21(31-2)22(32-3)14-20(16)27/h5-9,12-14H,4,10-11H2,1-3H3,(H,26,28)
InChIKeyKYBAUEHXXLAHPH-UHFFFAOYSA-N
XLogP3.38
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate
CID 1473621
ethyl 4-(4-benzamido-2,5-dimethoxyanilino)-4-oxobutanoate
CID 9087779
ethyl 5-benzamido-2-[(E)-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-6-oxopyran-3-carboxylate
CID 10345620
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
diethyl 2-(2-benzoylhydrazinyl)-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 11740058
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride
CID 119679319
ethyl 5-[(2-methoxybenzoyl)amino]-2-methyl-6-oxopyran-3-carboxylate
CID 18891724
ethyl 4,5-dimethoxy-2-[[4-[(4-methylphenyl)carbamoylamino]benzoyl]amino]benzoate
CID 70104558
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzamido-8,9-dimethoxy-1-oxo-5,6-dihydrobenzo[f]quinolizine-4-carboxylate?
The IUPAC name of ethyl 2-benzamido-8,9-dimethoxy-1-oxo-5,6-dihydrobenzo[f]quinolizine-4-carboxylate (CID 10411376) is ethyl 2-benzamido-8,9-dimethoxy-1-oxo-5,6-dihydrobenzo[f]quinolizine-4-carboxylate.
What is the SMILES notation for ethyl 2-benzamido-8,9-dimethoxy-1-oxo-5,6-dihydrobenzo[f]quinolizine-4-carboxylate?
The canonical SMILES for ethyl 2-benzamido-8,9-dimethoxy-1-oxo-5,6-dihydrobenzo[f]quinolizine-4-carboxylate is CCOC(=O)c1cc(NC(=O)c2ccccc2)c(=O)n2c1CCc1cc(OC)c(OC)cc1-2.
What is the InChIKey of ethyl 2-benzamido-8,9-dimethoxy-1-oxo-5,6-dihydrobenzo[f]quinolizine-4-carboxylate?
The InChIKey is KYBAUEHXXLAHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6/c1-4-33-25(30)17-13-18(26-23(28)15-8-6-5-7-9-15)24(29)27-19(17)11-10-16-12-21(31-2)22(32-3)14-20(16)27/h5-9,12-14H,4,10-11H2,1-3H3,(H,26,28).
What are the key properties of ethyl 2-benzamido-8,9-dimethoxy-1-oxo-5,6-dihydrobenzo[f]quinolizine-4-carboxylate?
ethyl 2-benzamido-8,9-dimethoxy-1-oxo-5,6-dihydrobenzo[f]quinolizine-4-carboxylate has a molecular weight of 448.48 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzamido-8,9-dimethoxy-1-oxo-5,6-dihydrobenzo[f]quinolizine-4-carboxylate is sourced from PubChem (CID 10411376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).