ethyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;(4-methoxyphenyl)methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate

C74H77N3O16 — CID 159726939

IUPACethyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;(4-methoxyphenyl)methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2c(OCc3ccc(OC)cc3)c(C)ccc2c1=O.CCn1cc(C(=O)OC)c(=O)c2ccc(C)c(OCc3ccc(OC)cc3)c21.CCn1cc(C(=O)OCc2ccc(OC)cc2)c(=O)c2ccc(C)c(OCc3ccc(OC)cc3)c21
InChIInChI=1S/C29H29NO6.C23H25NO5.C22H23NO5/c1-5-30-16-25(29(32)36-18-21-9-13-23(34-4)14-10-21)27(31)24-15-6-19(2)28(26(24)30)35-17-20-7-11-22(33-3)12-8-20;1-5-24-13-19(23(26)28-6-2)21(25)18-12-7-15(3)22(20(18)24)29-14-16-8-10-17(27-4)11-9-16;1-5-23-12-18(22(25)27-4)20(24)17-11-6-14(2)21(19(17)23)28-13-15-7-9-16(26-3)10-8-15/h6-16H,5,17-18H2,1-4H3;7-13H,5-6,14H2,1-4H3;6-12H,5,13H2,1-4H3
InChIKeyNATGULVZNJHOBX-UHFFFAOYSA-N
MW1264.43 g/mol
LogP13.08
Rot. Bonds22

About ethyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;(4-methoxyphenyl)methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate

ethyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;(4-methoxyphenyl)methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate (PubChem CID 159726939) has the molecular formula C74H77N3O16 and a molecular weight of 1264.43 g/mol. Its IUPAC name is ethyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;(4-methoxyphenyl)methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;(4-methoxyphenyl)methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate
PubChem CID159726939
Molecular FormulaC74H77N3O16
Molecular Weight1264.43 g/mol
Exact Mass1263.53
IUPAC Nameethyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;(4-methoxyphenyl)methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2c(OCc3ccc(OC)cc3)c(C)ccc2c1=O.CCn1cc(C(=O)OC)c(=O)c2ccc(C)c(OCc3ccc(OC)cc3)c21.CCn1cc(C(=O)OCc2ccc(OC)cc2)c(=O)c2ccc(C)c(OCc3ccc(OC)cc3)c21
InChIInChI=1S/C29H29NO6.C23H25NO5.C22H23NO5/c1-5-30-16-25(29(32)36-18-21-9-13-23(34-4)14-10-21)27(31)24-15-6-19(2)28(26(24)30)35-17-20-7-11-22(33-3)12-8-20;1-5-24-13-19(23(26)28-6-2)21(25)18-12-7-15(3)22(20(18)24)29-14-16-8-10-17(27-4)11-9-16;1-5-23-12-18(22(25)27-4)20(24)17-11-6-14(2)21(19(17)23)28-13-15-7-9-16(26-3)10-8-15/h6-16H,5,17-18H2,1-4H3;7-13H,5-6,14H2,1-4H3;6-12H,5,13H2,1-4H3
InChIKeyNATGULVZNJHOBX-UHFFFAOYSA-N
XLogP13.08
TPSA209.51 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001264.43
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;(4-methoxyphenyl)methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-ethyl-7,8-dihydroxy-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-7,8-dihydroxy-4-oxoquinoline-3-carboxylate
CID 159602543
ethyl 1-ethyl-5-hydroxy-6-[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylate
CID 86732827
(4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 974021
ethyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 14099128
1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid
CID 90373650
1-ethyl-6-fluoro-3-(hydroxymethyl)-7,8-bis[(4-methoxyphenyl)methoxy]quinolin-4-one
CID 86732812
(4-methoxyphenyl)methyl 5-amino-2-methylbenzoate
CID 61310472
ethyl 3,5-diiodo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 10602479
ethyl 2-bromo-5-[(4-methoxyphenyl)methoxy]-4-methylbenzoate
CID 58334561
ethyl 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 130454047
(4-methoxyphenyl)methyl 2-chloro-3,4-dimethylbenzoate
CID 58373857
ethyl 3-benzyl-9-ethyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylate
CID 25006913

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;(4-methoxyphenyl)methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;(4-methoxyphenyl)methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate (CID 159726939) is ethyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;(4-methoxyphenyl)methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;(4-methoxyphenyl)methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;(4-methoxyphenyl)methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(CC)c2c(OCc3ccc(OC)cc3)c(C)ccc2c1=O.CCn1cc(C(=O)OC)c(=O)c2ccc(C)c(OCc3ccc(OC)cc3)c21.CCn1cc(C(=O)OCc2ccc(OC)cc2)c(=O)c2ccc(C)c(OCc3ccc(OC)cc3)c21.
What is the InChIKey of ethyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;(4-methoxyphenyl)methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate?
The InChIKey is NATGULVZNJHOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO6.C23H25NO5.C22H23NO5/c1-5-30-16-25(29(32)36-18-21-9-13-23(34-4)14-10-21)27(31)24-15-6-19(2)28(26(24)30)35-17-20-7-11-22(33-3)12-8-20;1-5-24-13-19(23(26)28-6-2)21(25)18-12-7-15(3)22(20(18)24)29-14-16-8-10-17(27-4)11-9-16;1-5-23-12-18(22(25)27-4)20(24)17-11-6-14(2)21(19(17)23)28-13-15-7-9-16(26-3)10-8-15/h6-16H,5,17-18H2,1-4H3;7-13H,5-6,14H2,1-4H3;6-12H,5,13H2,1-4H3.
What are the key properties of ethyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;(4-methoxyphenyl)methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate?
ethyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;(4-methoxyphenyl)methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate has a molecular weight of 1264.43 g/mol, XLogP of 13.08, 22 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;(4-methoxyphenyl)methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 159726939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).