ethyl 2-(4-fluorophenyl)-3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate

C26H27FN4O5 — CID 53031360

IUPACethyl 2-(4-fluorophenyl)-3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
SMILESCCOC(=O)N1CCc2c(nc(-c3ccc(F)cc3)n(CC(=O)Nc3cc(C)ccc3OC)c2=O)C1
InChIInChI=1S/C26H27FN4O5/c1-4-36-26(34)30-12-11-19-21(14-30)29-24(17-6-8-18(27)9-7-17)31(25(19)33)15-23(32)28-20-13-16(2)5-10-22(20)35-3/h5-10,13H,4,11-12,14-15H2,1-3H3,(H,28,32)
InChIKeyQHHYHTOTRXWQMP-UHFFFAOYSA-N
MW494.52 g/mol
LogP3.52
Rot. Bonds6

About ethyl 2-(4-fluorophenyl)-3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate

ethyl 2-(4-fluorophenyl)-3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate (PubChem CID 53031360) has the molecular formula C26H27FN4O5 and a molecular weight of 494.52 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
PubChem CID53031360
Molecular FormulaC26H27FN4O5
Molecular Weight494.52 g/mol
Exact Mass494.20
IUPAC Nameethyl 2-(4-fluorophenyl)-3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
SMILESCCOC(=O)N1CCc2c(nc(-c3ccc(F)cc3)n(CC(=O)Nc3cc(C)ccc3OC)c2=O)C1
InChIInChI=1S/C26H27FN4O5/c1-4-36-26(34)30-12-11-19-21(14-30)29-24(17-6-8-18(27)9-7-17)31(25(19)33)15-23(32)28-20-13-16(2)5-10-22(20)35-3/h5-10,13H,4,11-12,14-15H2,1-3H3,(H,28,32)
InChIKeyQHHYHTOTRXWQMP-UHFFFAOYSA-N
XLogP3.52
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(4-fluorophenyl)-3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate with MolForge

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Related Compounds

ethyl 3-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 53031321
ethyl 3-[2-(2-fluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 53031355
ethyl 3-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 53031305
2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 171146425
2-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 112770562
tert-butyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)methylamino]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 143767824
ethyl 4-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8932092
N-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368763
2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 53201660
N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
CID 1157477
ethyl 1-(4-fluorophenyl)-4-[2-(2-methoxy-5-methylanilino)-2-oxoethoxy]-6-oxopyridazine-3-carboxylate
CID 18579881
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)-3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate (CID 53031360) is ethyl 2-(4-fluorophenyl)-3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate is CCOC(=O)N1CCc2c(nc(-c3ccc(F)cc3)n(CC(=O)Nc3cc(C)ccc3OC)c2=O)C1.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate?
The InChIKey is QHHYHTOTRXWQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O5/c1-4-36-26(34)30-12-11-19-21(14-30)29-24(17-6-8-18(27)9-7-17)31(25(19)33)15-23(32)28-20-13-16(2)5-10-22(20)35-3/h5-10,13H,4,11-12,14-15H2,1-3H3,(H,28,32).
What are the key properties of ethyl 2-(4-fluorophenyl)-3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate?
ethyl 2-(4-fluorophenyl)-3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate has a molecular weight of 494.52 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 53031360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).