methyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate

C16H17NO3 — CID 11173292

IUPACmethyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCC1=C(C)C(=O)CCN12
InChIInChI=1S/C16H17NO3/c1-10-13-5-3-11-9-12(16(19)20-2)4-6-14(11)17(13)8-7-15(10)18/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyBYZHSZMMUAONJJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.47
Rot. Bonds1

About methyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate

methyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate (PubChem CID 11173292) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate
PubChem CID11173292
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namemethyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCC1=C(C)C(=O)CCN12
InChIInChI=1S/C16H17NO3/c1-10-13-5-3-11-9-12(16(19)20-2)4-6-14(11)17(13)8-7-15(10)18/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyBYZHSZMMUAONJJ-UHFFFAOYSA-N
XLogP2.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Padimate-O
CID 30541
Octyl p-dimethylaminobenzoate
CID 42851
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CID 232605
Methyl 4-dimethylaminobenzoate
CID 70994
Ethyl 4-(diethylamino)benzoate
CID 82517
Paridocaine
CID 23551
Methyl 4-(diethylamino)benzoate
CID 5086469
Acetic acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester
CID 645583
Benzyl 4-(dimethylamino)benzoate
CID 803407
Ethyl 4-hydroxy-2-methyl-3-(3-oxobutyl)-6-quinolinecarboxylate
CID 868130
GNF-Pf-4475
CID 2728441
Ethyl 4-[4-(4-ethoxycarbonylphenyl)piperazin-1-yl]benzoate
CID 3006258

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate?
The IUPAC name of methyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate (CID 11173292) is methyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate?
The canonical SMILES for methyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate is COC(=O)c1ccc2c(c1)CCC1=C(C)C(=O)CCN12.
What is the InChIKey of methyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate?
The InChIKey is BYZHSZMMUAONJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-10-13-5-3-11-9-12(16(19)20-2)4-6-14(11)17(13)8-7-15(10)18/h4,6,9H,3,5,7-8H2,1-2H3.
What are the key properties of methyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate?
methyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[c]quinolizine-8-carboxylate is sourced from PubChem (CID 11173292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).