ethyl 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate

C27H25FN2O5 — CID 130454047

IUPACethyl 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccc(OC)cc2)c2cc(F)c(-c3ccc(COC)nc3)cc2c1=O
InChIInChI=1S/C27H25FN2O5/c1-4-35-27(32)23-15-30(14-17-5-9-20(34-3)10-6-17)25-12-24(28)21(11-22(25)26(23)31)18-7-8-19(16-33-2)29-13-18/h5-13,15H,4,14,16H2,1-3H3
InChIKeyIUQHCVMNZIDCNJ-UHFFFAOYSA-N
MW476.50 g/mol
LogP4.58
Rot. Bonds8

About ethyl 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate

ethyl 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate (PubChem CID 130454047) has the molecular formula C27H25FN2O5 and a molecular weight of 476.50 g/mol. Its IUPAC name is ethyl 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate
PubChem CID130454047
Molecular FormulaC27H25FN2O5
Molecular Weight476.50 g/mol
Exact Mass476.17
IUPAC Nameethyl 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccc(OC)cc2)c2cc(F)c(-c3ccc(COC)nc3)cc2c1=O
InChIInChI=1S/C27H25FN2O5/c1-4-35-27(32)23-15-30(14-17-5-9-20(34-3)10-6-17)25-12-24(28)21(11-22(25)26(23)31)18-7-8-19(16-33-2)29-13-18/h5-13,15H,4,14,16H2,1-3H3
InChIKeyIUQHCVMNZIDCNJ-UHFFFAOYSA-N
XLogP4.58
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 1-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4-oxoquinoline-3-carboxylate
CID 53324666
ethyl 6-fluoro-4-oxo-1-(pyridin-4-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxylate
CID 53418743
1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one
CID 20864617
ethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 53418933
ethyl 6-bromo-4-oxo-1-(pyridin-4-ylmethyl)-1,7-naphthyridine-3-carboxylate
CID 87918839
ethyl 5-methoxy-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylate
CID 71734506
ethyl 4-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate
CID 118585777
ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 744481
ethyl 7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 14515103
ethyl 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate
CID 143904177
6,7-difluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771935
ethyl 1-[(4-methoxyphenyl)methyl]-4-methyl-5-methylsulfanylpyrrole-3-carboxylate
CID 151363085

Frequently Asked Questions

What is the IUPAC name of ethyl 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate (CID 130454047) is ethyl 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(Cc2ccc(OC)cc2)c2cc(F)c(-c3ccc(COC)nc3)cc2c1=O.
What is the InChIKey of ethyl 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate?
The InChIKey is IUQHCVMNZIDCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O5/c1-4-35-27(32)23-15-30(14-17-5-9-20(34-3)10-6-17)25-12-24(28)21(11-22(25)26(23)31)18-7-8-19(16-33-2)29-13-18/h5-13,15H,4,14,16H2,1-3H3.
What are the key properties of ethyl 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate?
ethyl 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate has a molecular weight of 476.50 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-fluoro-6-[6-(methoxymethyl)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 130454047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).