methyl 4-methyl-1-quinolin-4-ylpyrrole-3-carboxylate

C16H14N2O2 — CID 22024954

IUPACmethyl 4-methyl-1-quinolin-4-ylpyrrole-3-carboxylate
SMILESCOC(=O)c1cn(-c2ccnc3ccccc23)cc1C
InChIInChI=1S/C16H14N2O2/c1-11-9-18(10-13(11)16(19)20-2)15-7-8-17-14-6-4-3-5-12(14)15/h3-10H,1-2H3
InChIKeyIIVFWEORTMAIKJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.12
Rot. Bonds2

About methyl 4-methyl-1-quinolin-4-ylpyrrole-3-carboxylate

methyl 4-methyl-1-quinolin-4-ylpyrrole-3-carboxylate (PubChem CID 22024954) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 4-methyl-1-quinolin-4-ylpyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1-quinolin-4-ylpyrrole-3-carboxylate
PubChem CID22024954
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Namemethyl 4-methyl-1-quinolin-4-ylpyrrole-3-carboxylate
SMILESCOC(=O)c1cn(-c2ccnc3ccccc23)cc1C
InChIInChI=1S/C16H14N2O2/c1-11-9-18(10-13(11)16(19)20-2)15-7-8-17-14-6-4-3-5-12(14)15/h3-10H,1-2H3
InChIKeyIIVFWEORTMAIKJ-UHFFFAOYSA-N
XLogP3.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1-quinolin-4-ylpyrrole-3-carboxylate?
The IUPAC name of methyl 4-methyl-1-quinolin-4-ylpyrrole-3-carboxylate (CID 22024954) is methyl 4-methyl-1-quinolin-4-ylpyrrole-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-1-quinolin-4-ylpyrrole-3-carboxylate?
The canonical SMILES for methyl 4-methyl-1-quinolin-4-ylpyrrole-3-carboxylate is COC(=O)c1cn(-c2ccnc3ccccc23)cc1C.
What is the InChIKey of methyl 4-methyl-1-quinolin-4-ylpyrrole-3-carboxylate?
The InChIKey is IIVFWEORTMAIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-9-18(10-13(11)16(19)20-2)15-7-8-17-14-6-4-3-5-12(14)15/h3-10H,1-2H3.
What are the key properties of methyl 4-methyl-1-quinolin-4-ylpyrrole-3-carboxylate?
methyl 4-methyl-1-quinolin-4-ylpyrrole-3-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-1-quinolin-4-ylpyrrole-3-carboxylate is sourced from PubChem (CID 22024954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).