ethyl 4-oxo-8-[[4-(2-quinolin-2-ylethoxy)phenoxy]methyl]chromene-2-carboxylate

C30H25NO6 — CID 67903375

IUPACethyl 4-oxo-8-[[4-(2-quinolin-2-ylethoxy)phenoxy]methyl]chromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cccc(COc3ccc(OCCc4ccc5ccccc5n4)cc3)c2o1
InChIInChI=1S/C30H25NO6/c1-2-34-30(33)28-18-27(32)25-8-5-7-21(29(25)37-28)19-36-24-14-12-23(13-15-24)35-17-16-22-11-10-20-6-3-4-9-26(20)31-22/h3-15,18H,2,16-17,19H2,1H3
InChIKeyOIJZVCLJOZUDKN-UHFFFAOYSA-N
MW495.53 g/mol
LogP5.72
Rot. Bonds9

About ethyl 4-oxo-8-[[4-(2-quinolin-2-ylethoxy)phenoxy]methyl]chromene-2-carboxylate

ethyl 4-oxo-8-[[4-(2-quinolin-2-ylethoxy)phenoxy]methyl]chromene-2-carboxylate (PubChem CID 67903375) has the molecular formula C30H25NO6 and a molecular weight of 495.53 g/mol. Its IUPAC name is ethyl 4-oxo-8-[[4-(2-quinolin-2-ylethoxy)phenoxy]methyl]chromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-8-[[4-(2-quinolin-2-ylethoxy)phenoxy]methyl]chromene-2-carboxylate
PubChem CID67903375
Molecular FormulaC30H25NO6
Molecular Weight495.53 g/mol
Exact Mass495.17
IUPAC Nameethyl 4-oxo-8-[[4-(2-quinolin-2-ylethoxy)phenoxy]methyl]chromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cccc(COc3ccc(OCCc4ccc5ccccc5n4)cc3)c2o1
InChIInChI=1S/C30H25NO6/c1-2-34-30(33)28-18-27(32)25-8-5-7-21(29(25)37-28)19-36-24-14-12-23(13-15-24)35-17-16-22-11-10-20-6-3-4-9-26(20)31-22/h3-15,18H,2,16-17,19H2,1H3
InChIKeyOIJZVCLJOZUDKN-UHFFFAOYSA-N
XLogP5.72
TPSA87.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.53
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-oxo-8-[[4-(2-quinolin-2-ylethoxy)phenoxy]methyl]chromene-2-carboxylate with MolForge

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Related Compounds

4-oxo-8-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]chromene-2-carboxylic acid
CID 14842373
ethyl 4-oxo-8-[[4-(4-phenylbutoxy)phenyl]methylperoxy]chromene-2-carboxylate
CID 142642799
4-oxo-8-propylchromene-2-carboperoxoic acid
CID 88699631
ethyl 8-[(4-hexoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926727
ethyl 6-[5-(2-ethoxycarbonyl-4-oxochromen-6-yl)oxypentoxy]-4-oxochromene-2-carboxylate
CID 154133959
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
4-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid
CID 10574284
O-(2-quinolin-2-ylethyl)hydroxylamine
CID 119091598
ethyl 4-oxo-6-[[4-(3-phenylpropoxy)benzoyl]amino]chromene-2-carboxylate
CID 22924435
ethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
CID 22241520
ethyl 8-[(4-hydroxyphenyl)sulfonylamino]-4-oxochromene-2-carboxylate
CID 139832919
2-[[3-[3-[3-[3-(2H-tetrazol-5-yl)propoxy]phenyl]propyl]phenoxy]methyl]quinoline
CID 19856226

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-8-[[4-(2-quinolin-2-ylethoxy)phenoxy]methyl]chromene-2-carboxylate?
The IUPAC name of ethyl 4-oxo-8-[[4-(2-quinolin-2-ylethoxy)phenoxy]methyl]chromene-2-carboxylate (CID 67903375) is ethyl 4-oxo-8-[[4-(2-quinolin-2-ylethoxy)phenoxy]methyl]chromene-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-8-[[4-(2-quinolin-2-ylethoxy)phenoxy]methyl]chromene-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-8-[[4-(2-quinolin-2-ylethoxy)phenoxy]methyl]chromene-2-carboxylate is CCOC(=O)c1cc(=O)c2cccc(COc3ccc(OCCc4ccc5ccccc5n4)cc3)c2o1.
What is the InChIKey of ethyl 4-oxo-8-[[4-(2-quinolin-2-ylethoxy)phenoxy]methyl]chromene-2-carboxylate?
The InChIKey is OIJZVCLJOZUDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO6/c1-2-34-30(33)28-18-27(32)25-8-5-7-21(29(25)37-28)19-36-24-14-12-23(13-15-24)35-17-16-22-11-10-20-6-3-4-9-26(20)31-22/h3-15,18H,2,16-17,19H2,1H3.
What are the key properties of ethyl 4-oxo-8-[[4-(2-quinolin-2-ylethoxy)phenoxy]methyl]chromene-2-carboxylate?
ethyl 4-oxo-8-[[4-(2-quinolin-2-ylethoxy)phenoxy]methyl]chromene-2-carboxylate has a molecular weight of 495.53 g/mol, XLogP of 5.72, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-8-[[4-(2-quinolin-2-ylethoxy)phenoxy]methyl]chromene-2-carboxylate is sourced from PubChem (CID 67903375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).