3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide

C16H19N3O2 — CID 111443887

IUPAC3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1cccc2cccnc12)N1CCC(CO)C1
InChIInChI=1S/C16H19N3O2/c20-11-12-6-8-19(10-12)16(21)18-9-14-4-1-3-13-5-2-7-17-15(13)14/h1-5,7,12,20H,6,8-11H2,(H,18,21)
InChIKeyYCDXHVBNSLXTNH-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.76
Rot. Bonds3

About 3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 111443887) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID111443887
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1cccc2cccnc12)N1CCC(CO)C1
InChIInChI=1S/C16H19N3O2/c20-11-12-6-8-19(10-12)16(21)18-9-14-4-1-3-13-5-2-7-17-15(13)14/h1-5,7,12,20H,6,8-11H2,(H,18,21)
InChIKeyYCDXHVBNSLXTNH-UHFFFAOYSA-N
XLogP1.76
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide (CID 111443887) is 3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide is O=C(NCc1cccc2cccnc12)N1CCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is YCDXHVBNSLXTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-11-12-6-8-19(10-12)16(21)18-9-14-4-1-3-13-5-2-7-17-15(13)14/h1-5,7,12,20H,6,8-11H2,(H,18,21).
What are the key properties of 3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111443887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).