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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-ethyl-1-N-(quinolin-8-ylmethyl)piperidine-1,4-dicarboxamide
CID 166186194
(3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide
CID 154795406
(2S,6R)-2-ethyl-6-methyl-N-(quinolin-8-ylmethyl)morpholine-4-carboxamide
CID 97096798
1-(1-propan-2-ylpyrrolidin-3-yl)-N-(quinolin-8-ylmethyl)methanamine
CID 61208707
3-(hydroxymethyl)-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrrolidine-1-carboxamide
CID 111508966
(1-quinolin-8-ylpyrrolidin-3-yl)methanol
CID 64863292
pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828404
1-cyclobutyl-N-(quinolin-8-ylmethyl)methanamine
CID 43298300
pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 175652239
N'-methyl-3-phenyl-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide
CID 111722699
N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894603
N',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide
CID 111144050

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).