N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide

C17H15N3O2 — CID 131903322

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide
SMILESO=C(NCc1cccc(CO)c1)c1cccc2nccnc12
InChIInChI=1S/C17H15N3O2/c21-11-13-4-1-3-12(9-13)10-20-17(22)14-5-2-6-15-16(14)19-8-7-18-15/h1-9,21H,10-11H2,(H,20,22)
InChIKeyITKABPCHOYWOGO-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.05
Rot. Bonds4

About N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide

N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide (PubChem CID 131903322) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide
PubChem CID131903322
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide
SMILESO=C(NCc1cccc(CO)c1)c1cccc2nccnc12
InChIInChI=1S/C17H15N3O2/c21-11-13-4-1-3-12(9-13)10-20-17(22)14-5-2-6-15-16(14)19-8-7-18-15/h1-9,21H,10-11H2,(H,20,22)
InChIKeyITKABPCHOYWOGO-UHFFFAOYSA-N
XLogP2.05
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-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

N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide
CID 110701354
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 103756187
N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 110701358
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311262
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
N-(1H-imidazol-5-ylmethyl)quinoxaline-5-carboxamide
CID 104580556
3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 66483783
N-[(2-methoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 110701357
4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
N-[[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide
CID 166244848
N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide
CID 104580610

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide (CID 131903322) is N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide is O=C(NCc1cccc(CO)c1)c1cccc2nccnc12.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide?
The InChIKey is ITKABPCHOYWOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-11-13-4-1-3-12(9-13)10-20-17(22)14-5-2-6-15-16(14)19-8-7-18-15/h1-9,21H,10-11H2,(H,20,22).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide?
N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 131903322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).