methyl 2-(5-phenylmethoxyindol-1-yl)pyridine-4-carboxylate

C22H18N2O3 — CID 177163804

IUPACmethyl 2-(5-phenylmethoxyindol-1-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-n2ccc3cc(OCc4ccccc4)ccc32)c1
InChIInChI=1S/C22H18N2O3/c1-26-22(25)18-9-11-23-21(14-18)24-12-10-17-13-19(7-8-20(17)24)27-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3
InChIKeyVKBKNXIEYUGGIX-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.39
Rot. Bonds5

About methyl 2-(5-phenylmethoxyindol-1-yl)pyridine-4-carboxylate

methyl 2-(5-phenylmethoxyindol-1-yl)pyridine-4-carboxylate (PubChem CID 177163804) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is methyl 2-(5-phenylmethoxyindol-1-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-phenylmethoxyindol-1-yl)pyridine-4-carboxylate
PubChem CID177163804
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Namemethyl 2-(5-phenylmethoxyindol-1-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-n2ccc3cc(OCc4ccccc4)ccc32)c1
InChIInChI=1S/C22H18N2O3/c1-26-22(25)18-9-11-23-21(14-18)24-12-10-17-13-19(7-8-20(17)24)27-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3
InChIKeyVKBKNXIEYUGGIX-UHFFFAOYSA-N
XLogP4.39
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(5-phenylmethoxyindol-1-yl)acetate
CID 20770836
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 3-phenylmethoxyquinoline-7-carboxylate
CID 166128416
1-(3-fluorophenyl)-5-phenylmethoxyindole
CID 177163801
methyl 6-phenylmethoxyindole-1-carboxylate
CID 11448893
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363
3-(5-phenylmethoxyindol-1-yl)propanoic acid
CID 22570271
2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide
CID 39314820
methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate
CID 175245532
ethane;1-(2-phenylethyl)-5-phenylmethoxyindole
CID 145371075
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 45493262

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-phenylmethoxyindol-1-yl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(5-phenylmethoxyindol-1-yl)pyridine-4-carboxylate (CID 177163804) is methyl 2-(5-phenylmethoxyindol-1-yl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(5-phenylmethoxyindol-1-yl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(5-phenylmethoxyindol-1-yl)pyridine-4-carboxylate is COC(=O)c1ccnc(-n2ccc3cc(OCc4ccccc4)ccc32)c1.
What is the InChIKey of methyl 2-(5-phenylmethoxyindol-1-yl)pyridine-4-carboxylate?
The InChIKey is VKBKNXIEYUGGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-26-22(25)18-9-11-23-21(14-18)24-12-10-17-13-19(7-8-20(17)24)27-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3.
What are the key properties of methyl 2-(5-phenylmethoxyindol-1-yl)pyridine-4-carboxylate?
methyl 2-(5-phenylmethoxyindol-1-yl)pyridine-4-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-phenylmethoxyindol-1-yl)pyridine-4-carboxylate is sourced from PubChem (CID 177163804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).