propyl 1-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine-3-carboxylate

C18H18N2O3 — CID 170985030

IUPACpropyl 1-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine-3-carboxylate
SMILESCCCOC(=O)c1cn(-c2ccc(OC)cc2)c2cnccc12
InChIInChI=1S/C18H18N2O3/c1-3-10-23-18(21)16-12-20(17-11-19-9-8-15(16)17)13-4-6-14(22-2)7-5-13/h4-9,11-12H,3,10H2,1-2H3
InChIKeyPQUNFIJMCXUOFF-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.60
Rot. Bonds5

About propyl 1-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine-3-carboxylate

propyl 1-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine-3-carboxylate (PubChem CID 170985030) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is propyl 1-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropyl 1-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine-3-carboxylate
PubChem CID170985030
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namepropyl 1-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine-3-carboxylate
SMILESCCCOC(=O)c1cn(-c2ccc(OC)cc2)c2cnccc12
InChIInChI=1S/C18H18N2O3/c1-3-10-23-18(21)16-12-20(17-11-19-9-8-15(16)17)13-4-6-14(22-2)7-5-13/h4-9,11-12H,3,10H2,1-2H3
InChIKeyPQUNFIJMCXUOFF-UHFFFAOYSA-N
XLogP3.60
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 1-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine-3-carboxylate?
The IUPAC name of propyl 1-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine-3-carboxylate (CID 170985030) is propyl 1-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for propyl 1-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for propyl 1-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine-3-carboxylate is CCCOC(=O)c1cn(-c2ccc(OC)cc2)c2cnccc12.
What is the InChIKey of propyl 1-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine-3-carboxylate?
The InChIKey is PQUNFIJMCXUOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-10-23-18(21)16-12-20(17-11-19-9-8-15(16)17)13-4-6-14(22-2)7-5-13/h4-9,11-12H,3,10H2,1-2H3.
What are the key properties of propyl 1-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine-3-carboxylate?
propyl 1-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine-3-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-(4-methoxyphenyl)pyrrolo[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 170985030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).