methyl 1-[2-(7-methoxynaphthalen-2-yl)oxy-2-oxoethyl]indole-3-carboxylate

C23H19NO5 — CID 36660893

IUPACmethyl 1-[2-(7-methoxynaphthalen-2-yl)oxy-2-oxoethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)Oc2ccc3ccc(OC)cc3c2)c2ccccc12
InChIInChI=1S/C23H19NO5/c1-27-17-9-7-15-8-10-18(12-16(15)11-17)29-22(25)14-24-13-20(23(26)28-2)19-5-3-4-6-21(19)24/h3-13H,14H2,1-2H3
InChIKeyLHGNIDAZBFLFBF-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.20
Rot. Bonds5

About methyl 1-[2-(7-methoxynaphthalen-2-yl)oxy-2-oxoethyl]indole-3-carboxylate

methyl 1-[2-(7-methoxynaphthalen-2-yl)oxy-2-oxoethyl]indole-3-carboxylate (PubChem CID 36660893) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is methyl 1-[2-(7-methoxynaphthalen-2-yl)oxy-2-oxoethyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(7-methoxynaphthalen-2-yl)oxy-2-oxoethyl]indole-3-carboxylate
PubChem CID36660893
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Namemethyl 1-[2-(7-methoxynaphthalen-2-yl)oxy-2-oxoethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)Oc2ccc3ccc(OC)cc3c2)c2ccccc12
InChIInChI=1S/C23H19NO5/c1-27-17-9-7-15-8-10-18(12-16(15)11-17)29-22(25)14-24-13-20(23(26)28-2)19-5-3-4-6-21(19)24/h3-13H,14H2,1-2H3
InChIKeyLHGNIDAZBFLFBF-UHFFFAOYSA-N
XLogP4.20
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate
CID 654649
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
methyl 1-[2-(2-naphthalen-2-ylethylamino)-2-oxoethyl]indole-3-carboxylate
CID 35028911
2-(3-acetylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 1088565
2-(3-acetylindol-1-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide
CID 56763655
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184
methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate
CID 973154
methyl 1-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-oxoethyl]indole-3-carboxylate
CID 30090937
methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate
CID 2973654
methyl 1-[2-oxo-2-[4-(phenylcarbamoylamino)anilino]ethyl]indole-3-carboxylate
CID 46553530
methyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate
CID 57297438
methyl 1-[2-(4-methoxyphenyl)ethynyl]indole-3-carboxylate
CID 24776972

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(7-methoxynaphthalen-2-yl)oxy-2-oxoethyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[2-(7-methoxynaphthalen-2-yl)oxy-2-oxoethyl]indole-3-carboxylate (CID 36660893) is methyl 1-[2-(7-methoxynaphthalen-2-yl)oxy-2-oxoethyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(7-methoxynaphthalen-2-yl)oxy-2-oxoethyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[2-(7-methoxynaphthalen-2-yl)oxy-2-oxoethyl]indole-3-carboxylate is COC(=O)c1cn(CC(=O)Oc2ccc3ccc(OC)cc3c2)c2ccccc12.
What is the InChIKey of methyl 1-[2-(7-methoxynaphthalen-2-yl)oxy-2-oxoethyl]indole-3-carboxylate?
The InChIKey is LHGNIDAZBFLFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c1-27-17-9-7-15-8-10-18(12-16(15)11-17)29-22(25)14-24-13-20(23(26)28-2)19-5-3-4-6-21(19)24/h3-13H,14H2,1-2H3.
What are the key properties of methyl 1-[2-(7-methoxynaphthalen-2-yl)oxy-2-oxoethyl]indole-3-carboxylate?
methyl 1-[2-(7-methoxynaphthalen-2-yl)oxy-2-oxoethyl]indole-3-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(7-methoxynaphthalen-2-yl)oxy-2-oxoethyl]indole-3-carboxylate is sourced from PubChem (CID 36660893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).