dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate

C20H17NO5 — CID 10991740

IUPACdimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c2cc(OCc3ccccc3)ccc2n1
InChIInChI=1S/C20H17NO5/c1-24-19(22)16-11-18(20(23)25-2)21-17-9-8-14(10-15(16)17)26-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyBHQGQFCHSCRWLU-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.39
Rot. Bonds5

About dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate

dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate (PubChem CID 10991740) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
PubChem CID10991740
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Namedimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c2cc(OCc3ccccc3)ccc2n1
InChIInChI=1S/C20H17NO5/c1-24-19(22)16-11-18(20(23)25-2)21-17-9-8-14(10-15(16)17)26-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyBHQGQFCHSCRWLU-UHFFFAOYSA-N
XLogP3.39
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
methyl 6-methyl-4-(4-phenylmethoxyanilino)quinoline-2-carboxylate
CID 53001303
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate
CID 121351499
dimethyl 6-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylate
CID 11089322
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363
methyl 4-chloro-8-fluoro-6-phenylmethoxyquinoline-2-carboxylate
CID 138584470
methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589
methyl 6-phenylmethoxy-1H-indole-4-carboxylate
CID 138110778
2-(2-methoxycarbonyl-6-phenylmethoxynaphthalen-1-yl)acetic acid
CID 54112709
6-methoxycarbonyl-4-(2-methoxy-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
CID 67834275
benzyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 164676582

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate?
The IUPAC name of dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate (CID 10991740) is dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate?
The canonical SMILES for dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate is COC(=O)c1cc(C(=O)OC)c2cc(OCc3ccccc3)ccc2n1.
What is the InChIKey of dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate?
The InChIKey is BHQGQFCHSCRWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-24-19(22)16-11-18(20(23)25-2)21-17-9-8-14(10-15(16)17)26-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3.
What are the key properties of dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate?
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate has a molecular weight of 351.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate is sourced from PubChem (CID 10991740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).