ethyl 4-amino-2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

C27H21ClN4O5 — CID 2471245

IUPACethyl 4-amino-2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(COC(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc34)nc(N)c12
InChIInChI=1S/C27H21ClN4O5/c1-3-35-27(34)22-14(2)37-25-23(22)24(29)31-21(32-25)13-36-26(33)18-12-20(15-8-10-16(28)11-9-15)30-19-7-5-4-6-17(18)19/h4-12H,3,13H2,1-2H3,(H2,29,31,32)
InChIKeyAHYPNLAYWMRRAV-UHFFFAOYSA-N
MW516.94 g/mol
LogP5.52
Rot. Bonds6

About ethyl 4-amino-2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

ethyl 4-amino-2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 2471245) has the molecular formula C27H21ClN4O5 and a molecular weight of 516.94 g/mol. Its IUPAC name is ethyl 4-amino-2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID2471245
Molecular FormulaC27H21ClN4O5
Molecular Weight516.94 g/mol
Exact Mass516.12
IUPAC Nameethyl 4-amino-2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(COC(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc34)nc(N)c12
InChIInChI=1S/C27H21ClN4O5/c1-3-35-27(34)22-14(2)37-25-23(22)24(29)31-21(32-25)13-36-26(33)18-12-20(15-8-10-16(28)11-9-15)30-19-7-5-4-6-17(18)19/h4-12H,3,13H2,1-2H3,(H2,29,31,32)
InChIKeyAHYPNLAYWMRRAV-UHFFFAOYSA-N
XLogP5.52
TPSA130.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.94
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 4-amino-2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate with MolForge

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Related Compounds

[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 41477143
ethyl 4-amino-2-[(4-chloro-1H-pyrrole-2-carbonyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 30036602
ethyl 4-amino-6-methyl-2-[[2-(tetrazol-1-yl)benzoyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 55479564
ethyl 4-amino-2-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 37160400
ethyl 4-amino-6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 55441835
(2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 7701146
(4-tert-butylphenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 4317216
ethyl 4-amino-2-[(4-chloro-3-sulfamoylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 55384817
ethyl 4-amino-2-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 42020802
ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate
CID 67204819
ethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 30036376
(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 4002009

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (CID 2471245) is ethyl 4-amino-2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2nc(COC(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc34)nc(N)c12.
What is the InChIKey of ethyl 4-amino-2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is AHYPNLAYWMRRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN4O5/c1-3-35-27(34)22-14(2)37-25-23(22)24(29)31-21(32-25)13-36-26(33)18-12-20(15-8-10-16(28)11-9-15)30-19-7-5-4-6-17(18)19/h4-12H,3,13H2,1-2H3,(H2,29,31,32).
What are the key properties of ethyl 4-amino-2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-amino-2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 516.94 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 2471245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).