ethyl 4-[(4,6,8-trimethyl-2-oxoquinolin-1-yl)methyl]benzoate

C22H23NO3 — CID 39768405

IUPACethyl 4-[(4,6,8-trimethyl-2-oxoquinolin-1-yl)methyl]benzoate
SMILESCCOC(=O)c1ccc(Cn2c(=O)cc(C)c3cc(C)cc(C)c32)cc1
InChIInChI=1S/C22H23NO3/c1-5-26-22(25)18-8-6-17(7-9-18)13-23-20(24)12-15(3)19-11-14(2)10-16(4)21(19)23/h6-12H,5,13H2,1-4H3
InChIKeyPODLORPKTJRPHD-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.15
Rot. Bonds4

About ethyl 4-[(4,6,8-trimethyl-2-oxoquinolin-1-yl)methyl]benzoate

ethyl 4-[(4,6,8-trimethyl-2-oxoquinolin-1-yl)methyl]benzoate (PubChem CID 39768405) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl 4-[(4,6,8-trimethyl-2-oxoquinolin-1-yl)methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4,6,8-trimethyl-2-oxoquinolin-1-yl)methyl]benzoate
PubChem CID39768405
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Nameethyl 4-[(4,6,8-trimethyl-2-oxoquinolin-1-yl)methyl]benzoate
SMILESCCOC(=O)c1ccc(Cn2c(=O)cc(C)c3cc(C)cc(C)c32)cc1
InChIInChI=1S/C22H23NO3/c1-5-26-22(25)18-8-6-17(7-9-18)13-23-20(24)12-15(3)19-11-14(2)10-16(4)21(19)23/h6-12H,5,13H2,1-4H3
InChIKeyPODLORPKTJRPHD-UHFFFAOYSA-N
XLogP4.15
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(4,8-dimethyl-2-oxoquinolin-1-yl)methyl]benzoate
CID 39768207
4-[(4,6,8-trimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile
CID 39768352
ethyl 3-amino-1-[(4-ethoxycarbonylphenyl)methyl]-5-methylpyrrole-2-carboxylate
CID 24754757
ethyl 4-[(4-methylphenyl)methyl]benzoate
CID 53487512
ethyl 4-carbamoyl-2-methyl-5-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]furan-3-carboxylate
CID 39765123
ethyl 4-phenyl-2-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 39768380
2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 39768438
ethyl 4-[(4-chlorophenyl)methyl]benzoate
CID 11414671
ethyl 4-[(3-cyano-6-methyl-2-oxo-1-pyridinyl)methyl]benzoate
CID 82099457
4,6,8-trimethyl-1-(4-phenoxybutyl)quinolin-2-one
CID 39768400
N-phenyl-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39768322
ethyl 4-[(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate
CID 28692459

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4,6,8-trimethyl-2-oxoquinolin-1-yl)methyl]benzoate?
The IUPAC name of ethyl 4-[(4,6,8-trimethyl-2-oxoquinolin-1-yl)methyl]benzoate (CID 39768405) is ethyl 4-[(4,6,8-trimethyl-2-oxoquinolin-1-yl)methyl]benzoate.
What is the SMILES notation for ethyl 4-[(4,6,8-trimethyl-2-oxoquinolin-1-yl)methyl]benzoate?
The canonical SMILES for ethyl 4-[(4,6,8-trimethyl-2-oxoquinolin-1-yl)methyl]benzoate is CCOC(=O)c1ccc(Cn2c(=O)cc(C)c3cc(C)cc(C)c32)cc1.
What is the InChIKey of ethyl 4-[(4,6,8-trimethyl-2-oxoquinolin-1-yl)methyl]benzoate?
The InChIKey is PODLORPKTJRPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-5-26-22(25)18-8-6-17(7-9-18)13-23-20(24)12-15(3)19-11-14(2)10-16(4)21(19)23/h6-12H,5,13H2,1-4H3.
What are the key properties of ethyl 4-[(4,6,8-trimethyl-2-oxoquinolin-1-yl)methyl]benzoate?
ethyl 4-[(4,6,8-trimethyl-2-oxoquinolin-1-yl)methyl]benzoate has a molecular weight of 349.43 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4,6,8-trimethyl-2-oxoquinolin-1-yl)methyl]benzoate is sourced from PubChem (CID 39768405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).