2-[2-amino-5-(quinolin-5-ylamino)phenyl]acetonitrile

C17H14N4 — CID 102623783

IUPAC2-[2-amino-5-(quinolin-5-ylamino)phenyl]acetonitrile
SMILESN#CCc1cc(Nc2cccc3ncccc23)ccc1N
InChIInChI=1S/C17H14N4/c18-9-8-12-11-13(6-7-15(12)19)21-17-5-1-4-16-14(17)3-2-10-20-16/h1-7,10-11,21H,8,19H2
InChIKeyGXRGSGVMHUSMDM-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.63
Rot. Bonds3

About 2-[2-amino-5-(quinolin-5-ylamino)phenyl]acetonitrile

2-[2-amino-5-(quinolin-5-ylamino)phenyl]acetonitrile (PubChem CID 102623783) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-[2-amino-5-(quinolin-5-ylamino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-(quinolin-5-ylamino)phenyl]acetonitrile
PubChem CID102623783
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name2-[2-amino-5-(quinolin-5-ylamino)phenyl]acetonitrile
SMILESN#CCc1cc(Nc2cccc3ncccc23)ccc1N
InChIInChI=1S/C17H14N4/c18-9-8-12-11-13(6-7-15(12)19)21-17-5-1-4-16-14(17)3-2-10-20-16/h1-7,10-11,21H,8,19H2
InChIKeyGXRGSGVMHUSMDM-UHFFFAOYSA-N
XLogP3.63
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(quinolin-5-ylamino)phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-(quinolin-5-ylamino)phenyl]acetonitrile (CID 102623783) is 2-[2-amino-5-(quinolin-5-ylamino)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-(quinolin-5-ylamino)phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-(quinolin-5-ylamino)phenyl]acetonitrile is N#CCc1cc(Nc2cccc3ncccc23)ccc1N.
What is the InChIKey of 2-[2-amino-5-(quinolin-5-ylamino)phenyl]acetonitrile?
The InChIKey is GXRGSGVMHUSMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c18-9-8-12-11-13(6-7-15(12)19)21-17-5-1-4-16-14(17)3-2-10-20-16/h1-7,10-11,21H,8,19H2.
What are the key properties of 2-[2-amino-5-(quinolin-5-ylamino)phenyl]acetonitrile?
2-[2-amino-5-(quinolin-5-ylamino)phenyl]acetonitrile has a molecular weight of 274.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(quinolin-5-ylamino)phenyl]acetonitrile is sourced from PubChem (CID 102623783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).