2-amino-5-(5-chloroquinolin-8-yl)oxybenzonitrile

C16H10ClN3O — CID 115499745

IUPAC2-amino-5-(5-chloroquinolin-8-yl)oxybenzonitrile
SMILESN#Cc1cc(Oc2ccc(Cl)c3cccnc23)ccc1N
InChIInChI=1S/C16H10ClN3O/c17-13-4-6-15(16-12(13)2-1-7-20-16)21-11-3-5-14(19)10(8-11)9-18/h1-8H,19H2
InChIKeyXHLUBRWKDCTTTA-UHFFFAOYSA-N
MW295.73 g/mol
LogP4.13
Rot. Bonds2

About 2-amino-5-(5-chloroquinolin-8-yl)oxybenzonitrile

2-amino-5-(5-chloroquinolin-8-yl)oxybenzonitrile (PubChem CID 115499745) has the molecular formula C16H10ClN3O and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-amino-5-(5-chloroquinolin-8-yl)oxybenzonitrile.

Molecular Properties

Compound Name2-amino-5-(5-chloroquinolin-8-yl)oxybenzonitrile
PubChem CID115499745
Molecular FormulaC16H10ClN3O
Molecular Weight295.73 g/mol
Exact Mass295.05
IUPAC Name2-amino-5-(5-chloroquinolin-8-yl)oxybenzonitrile
SMILESN#Cc1cc(Oc2ccc(Cl)c3cccnc23)ccc1N
InChIInChI=1S/C16H10ClN3O/c17-13-4-6-15(16-12(13)2-1-7-20-16)21-11-3-5-14(19)10(8-11)9-18/h1-8H,19H2
InChIKeyXHLUBRWKDCTTTA-UHFFFAOYSA-N
XLogP4.13
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(5-chloroquinolin-8-yl)oxypyridine-3-carbonitrile
CID 60923164
4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile
CID 114902377
3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile
CID 107058861
8-(4-chlorophenoxy)quinolin-5-amine
CID 43450277
2-amino-5-(2,5-dichlorophenoxy)benzonitrile
CID 115499728
2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile
CID 24701489
8-(3,5-dichlorophenoxy)quinolin-5-amine
CID 43621813
2-amino-5-(4-bromo-2-chlorophenoxy)benzonitrile
CID 115499780
4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile
CID 2216428
5-(4-chlorophenoxy)quinolin-8-amine
CID 43449608
6-(5-aminoquinolin-8-yl)oxypyridine-2-carbonitrile
CID 64587987
5-chloro-4-(5-chloroquinolin-8-yl)oxypyrimidin-2-amine
CID 80881381

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-chloroquinolin-8-yl)oxybenzonitrile?
The IUPAC name of 2-amino-5-(5-chloroquinolin-8-yl)oxybenzonitrile (CID 115499745) is 2-amino-5-(5-chloroquinolin-8-yl)oxybenzonitrile.
What is the SMILES notation for 2-amino-5-(5-chloroquinolin-8-yl)oxybenzonitrile?
The canonical SMILES for 2-amino-5-(5-chloroquinolin-8-yl)oxybenzonitrile is N#Cc1cc(Oc2ccc(Cl)c3cccnc23)ccc1N.
What is the InChIKey of 2-amino-5-(5-chloroquinolin-8-yl)oxybenzonitrile?
The InChIKey is XHLUBRWKDCTTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O/c17-13-4-6-15(16-12(13)2-1-7-20-16)21-11-3-5-14(19)10(8-11)9-18/h1-8H,19H2.
What are the key properties of 2-amino-5-(5-chloroquinolin-8-yl)oxybenzonitrile?
2-amino-5-(5-chloroquinolin-8-yl)oxybenzonitrile has a molecular weight of 295.73 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5-chloroquinolin-8-yl)oxybenzonitrile is sourced from PubChem (CID 115499745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).