2-amino-4-quinolin-7-yloxybenzonitrile

C16H11N3O — CID 107313214

IUPAC2-amino-4-quinolin-7-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2ccc3cccnc3c2)cc1N
InChIInChI=1S/C16H11N3O/c17-10-12-4-6-13(8-15(12)18)20-14-5-3-11-2-1-7-19-16(11)9-14/h1-9H,18H2
InChIKeyUUIIZLNEDJQIMM-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.48
Rot. Bonds2

About 2-amino-4-quinolin-7-yloxybenzonitrile

2-amino-4-quinolin-7-yloxybenzonitrile (PubChem CID 107313214) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-amino-4-quinolin-7-yloxybenzonitrile.

Molecular Properties

Compound Name2-amino-4-quinolin-7-yloxybenzonitrile
PubChem CID107313214
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name2-amino-4-quinolin-7-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2ccc3cccnc3c2)cc1N
InChIInChI=1S/C16H11N3O/c17-10-12-4-6-13(8-15(12)18)20-14-5-3-11-2-1-7-19-16(11)9-14/h1-9H,18H2
InChIKeyUUIIZLNEDJQIMM-UHFFFAOYSA-N
XLogP3.48
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-quinolin-7-yloxybenzonitrile 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

2-quinolin-7-yloxypyridin-3-amine
CID 107313182
7-pyridin-4-yloxyquinoline
CID 141187990
2-ethoxy-4-quinolin-7-yloxyaniline
CID 107313220
5-iodo-2-quinolin-7-yloxyaniline
CID 107313234
2-fluoro-6-quinolin-7-yloxybenzonitrile
CID 107313648
7-[(2-chloro-4-pyridinyl)oxy]quinoline
CID 107313588
1-(4-quinolin-7-yloxyphenyl)ethanone
CID 107313857
5-methyl-2-quinolin-7-yloxypyridin-3-amine
CID 107313223
5-fluoro-4-methyl-2-quinolin-7-yloxyaniline
CID 107313172
4-methyl-6-quinolin-7-yloxypyrimidin-2-amine
CID 107315905
2-methyl-6-quinolin-7-yloxypyrimidin-4-amine
CID 107315849
5-nitro-6-quinolin-7-yloxypyridin-2-amine
CID 107315829

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-quinolin-7-yloxybenzonitrile?
The IUPAC name of 2-amino-4-quinolin-7-yloxybenzonitrile (CID 107313214) is 2-amino-4-quinolin-7-yloxybenzonitrile.
What is the SMILES notation for 2-amino-4-quinolin-7-yloxybenzonitrile?
The canonical SMILES for 2-amino-4-quinolin-7-yloxybenzonitrile is N#Cc1ccc(Oc2ccc3cccnc3c2)cc1N.
What is the InChIKey of 2-amino-4-quinolin-7-yloxybenzonitrile?
The InChIKey is UUIIZLNEDJQIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c17-10-12-4-6-13(8-15(12)18)20-14-5-3-11-2-1-7-19-16(11)9-14/h1-9H,18H2.
What are the key properties of 2-amino-4-quinolin-7-yloxybenzonitrile?
2-amino-4-quinolin-7-yloxybenzonitrile has a molecular weight of 261.28 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-quinolin-7-yloxybenzonitrile is sourced from PubChem (CID 107313214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).