3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile

C16H12N4O — CID 62890135

IUPAC3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COc1ccc(N)c2cccnc12
InChIInChI=1S/C16H12N4O/c17-9-14-11(3-1-7-19-14)10-21-15-6-5-13(18)12-4-2-8-20-16(12)15/h1-8H,10,18H2
InChIKeyGJZFVOVMQOLRGZ-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.66
Rot. Bonds3

About 3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile

3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile (PubChem CID 62890135) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile
PubChem CID62890135
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COc1ccc(N)c2cccnc12
InChIInChI=1S/C16H12N4O/c17-9-14-11(3-1-7-19-14)10-21-15-6-5-13(18)12-4-2-8-20-16(12)15/h1-8H,10,18H2
InChIKeyGJZFVOVMQOLRGZ-UHFFFAOYSA-N
XLogP2.66
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile 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

8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine
CID 60864766
8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine
CID 102855349
3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 62889971
8-(pyridin-3-ylmethoxy)quinolin-5-amine
CID 60863689
8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine
CID 105369730
8-(cyclopropylmethoxy)quinolin-5-amine
CID 43450315
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile
CID 62920098
3-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile
CID 55128345
3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 55205880
3-[[2-ethoxy-6-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894945
3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62893783
3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 10036717

Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile (CID 62890135) is 3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile is N#Cc1ncccc1COc1ccc(N)c2cccnc12.
What is the InChIKey of 3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile?
The InChIKey is GJZFVOVMQOLRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c17-9-14-11(3-1-7-19-14)10-21-15-6-5-13(18)12-4-2-8-20-16(12)15/h1-8H,10,18H2.
What are the key properties of 3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile?
3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62890135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).