methyl 5-(1H-indol-2-yl)-1H-indole-7-carboxylate

C18H14N2O2 — CID 171676581

IUPACmethyl 5-(1H-indol-2-yl)-1H-indole-7-carboxylate
SMILESCOC(=O)c1cc(-c2cc3ccccc3[nH]2)cc2cc[nH]c12
InChIInChI=1S/C18H14N2O2/c1-22-18(21)14-9-13(8-12-6-7-19-17(12)14)16-10-11-4-2-3-5-15(11)20-16/h2-10,19-20H,1H3
InChIKeyGDLQUERGHNDKRU-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.10
Rot. Bonds2

About methyl 5-(1H-indol-2-yl)-1H-indole-7-carboxylate

methyl 5-(1H-indol-2-yl)-1H-indole-7-carboxylate (PubChem CID 171676581) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 5-(1H-indol-2-yl)-1H-indole-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1H-indol-2-yl)-1H-indole-7-carboxylate
PubChem CID171676581
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Namemethyl 5-(1H-indol-2-yl)-1H-indole-7-carboxylate
SMILESCOC(=O)c1cc(-c2cc3ccccc3[nH]2)cc2cc[nH]c12
InChIInChI=1S/C18H14N2O2/c1-22-18(21)14-9-13(8-12-6-7-19-17(12)14)16-10-11-4-2-3-5-15(11)20-16/h2-10,19-20H,1H3
InChIKeyGDLQUERGHNDKRU-UHFFFAOYSA-N
XLogP4.10
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(1H-indol-2-yl)benzoate
CID 44577790
methyl 1H-indole-7-carboxylate;hydrochloride
CID 175318571
methyl 4-bromo-2-(1H-indol-2-yl)benzoate
CID 150817148
methyl 5-methylsulfonyl-1H-indole-7-carboxylate
CID 58306560
methyl 2-(1H-indol-2-yl)-1,3-benzoxazole-7-carboxylate
CID 66621353
methyl 9-oxo-2-phenyl-1,5-dihydropyrido[3,2-b]indole-4-carboxylate
CID 66604900
3-(1H-indol-2-yl)-5-(4-methylphenyl)benzoic acid
CID 68762875
dimethyl 3-[4-(1H-indol-2-yl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168635297
dimethyl 1-[4-(1H-indol-2-yl)phenyl]azepine-2,3-dicarboxylate
CID 168649817
methyl 3-(1H-indol-2-yl)-5,6-dimethoxy-1H-indole-2-carboxylate
CID 86006540
5-(4-phenylphenyl)-1H-indole-7-carboxamide
CID 11174416
ethane;methyl 3-iodonaphthalene-2-carboxylate
CID 91057809

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1H-indol-2-yl)-1H-indole-7-carboxylate?
The IUPAC name of methyl 5-(1H-indol-2-yl)-1H-indole-7-carboxylate (CID 171676581) is methyl 5-(1H-indol-2-yl)-1H-indole-7-carboxylate.
What is the SMILES notation for methyl 5-(1H-indol-2-yl)-1H-indole-7-carboxylate?
The canonical SMILES for methyl 5-(1H-indol-2-yl)-1H-indole-7-carboxylate is COC(=O)c1cc(-c2cc3ccccc3[nH]2)cc2cc[nH]c12.
What is the InChIKey of methyl 5-(1H-indol-2-yl)-1H-indole-7-carboxylate?
The InChIKey is GDLQUERGHNDKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-22-18(21)14-9-13(8-12-6-7-19-17(12)14)16-10-11-4-2-3-5-15(11)20-16/h2-10,19-20H,1H3.
What are the key properties of methyl 5-(1H-indol-2-yl)-1H-indole-7-carboxylate?
methyl 5-(1H-indol-2-yl)-1H-indole-7-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1H-indol-2-yl)-1H-indole-7-carboxylate is sourced from PubChem (CID 171676581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).