methyl 1-(naphthalene-1-carbonyl)indole-3-carboxylate

C21H15NO3 — CID 2016258

IUPACmethyl 1-(naphthalene-1-carbonyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C21H15NO3/c1-25-21(24)18-13-22(19-12-5-4-10-16(18)19)20(23)17-11-6-8-14-7-2-3-9-15(14)17/h2-13H,1H3
InChIKeyDGRCNIMEGXTULN-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.27
Rot. Bonds2

About methyl 1-(naphthalene-1-carbonyl)indole-3-carboxylate

methyl 1-(naphthalene-1-carbonyl)indole-3-carboxylate (PubChem CID 2016258) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is methyl 1-(naphthalene-1-carbonyl)indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(naphthalene-1-carbonyl)indole-3-carboxylate
PubChem CID2016258
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Namemethyl 1-(naphthalene-1-carbonyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C21H15NO3/c1-25-21(24)18-13-22(19-12-5-4-10-16(18)19)20(23)17-11-6-8-14-7-2-3-9-15(14)17/h2-13H,1H3
InChIKeyDGRCNIMEGXTULN-UHFFFAOYSA-N
XLogP4.27
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(naphthalene-1-carbonyl)indole-3-carboxylate?
The IUPAC name of methyl 1-(naphthalene-1-carbonyl)indole-3-carboxylate (CID 2016258) is methyl 1-(naphthalene-1-carbonyl)indole-3-carboxylate.
What is the SMILES notation for methyl 1-(naphthalene-1-carbonyl)indole-3-carboxylate?
The canonical SMILES for methyl 1-(naphthalene-1-carbonyl)indole-3-carboxylate is COC(=O)c1cn(C(=O)c2cccc3ccccc23)c2ccccc12.
What is the InChIKey of methyl 1-(naphthalene-1-carbonyl)indole-3-carboxylate?
The InChIKey is DGRCNIMEGXTULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c1-25-21(24)18-13-22(19-12-5-4-10-16(18)19)20(23)17-11-6-8-14-7-2-3-9-15(14)17/h2-13H,1H3.
What are the key properties of methyl 1-(naphthalene-1-carbonyl)indole-3-carboxylate?
methyl 1-(naphthalene-1-carbonyl)indole-3-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(naphthalene-1-carbonyl)indole-3-carboxylate is sourced from PubChem (CID 2016258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).