methyl 1-quinolin-6-ylindole-3-carboxylate

C19H14N2O2 — CID 68969653

IUPACmethyl 1-quinolin-6-ylindole-3-carboxylate
SMILESCOC(=O)c1cn(-c2ccc3ncccc3c2)c2ccccc12
InChIInChI=1S/C19H14N2O2/c1-23-19(22)16-12-21(18-7-3-2-6-15(16)18)14-8-9-17-13(11-14)5-4-10-20-17/h2-12H,1H3
InChIKeyUEPLGTWGVILEMQ-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.97
Rot. Bonds2

About methyl 1-quinolin-6-ylindole-3-carboxylate

methyl 1-quinolin-6-ylindole-3-carboxylate (PubChem CID 68969653) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 1-quinolin-6-ylindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-quinolin-6-ylindole-3-carboxylate
PubChem CID68969653
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Namemethyl 1-quinolin-6-ylindole-3-carboxylate
SMILESCOC(=O)c1cn(-c2ccc3ncccc3c2)c2ccccc12
InChIInChI=1S/C19H14N2O2/c1-23-19(22)16-12-21(18-7-3-2-6-15(16)18)14-8-9-17-13(11-14)5-4-10-20-17/h2-12H,1H3
InChIKeyUEPLGTWGVILEMQ-UHFFFAOYSA-N
XLogP3.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-quinolin-6-ylindole-3-carboxylate?
The IUPAC name of methyl 1-quinolin-6-ylindole-3-carboxylate (CID 68969653) is methyl 1-quinolin-6-ylindole-3-carboxylate.
What is the SMILES notation for methyl 1-quinolin-6-ylindole-3-carboxylate?
The canonical SMILES for methyl 1-quinolin-6-ylindole-3-carboxylate is COC(=O)c1cn(-c2ccc3ncccc3c2)c2ccccc12.
What is the InChIKey of methyl 1-quinolin-6-ylindole-3-carboxylate?
The InChIKey is UEPLGTWGVILEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-23-19(22)16-12-21(18-7-3-2-6-15(16)18)14-8-9-17-13(11-14)5-4-10-20-17/h2-12H,1H3.
What are the key properties of methyl 1-quinolin-6-ylindole-3-carboxylate?
methyl 1-quinolin-6-ylindole-3-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-quinolin-6-ylindole-3-carboxylate is sourced from PubChem (CID 68969653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).