2-[4-(quinolin-2-ylmethylamino)phenyl]acetonitrile

C18H15N3 — CID 60673249

IUPAC2-[4-(quinolin-2-ylmethylamino)phenyl]acetonitrile
SMILESN#CCc1ccc(NCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H15N3/c19-12-11-14-5-8-16(9-6-14)20-13-17-10-7-15-3-1-2-4-18(15)21-17/h1-10,20H,11,13H2
InChIKeyKSNVJTFPCKGAGK-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.91
Rot. Bonds4

About 2-[4-(quinolin-2-ylmethylamino)phenyl]acetonitrile

2-[4-(quinolin-2-ylmethylamino)phenyl]acetonitrile (PubChem CID 60673249) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[4-(quinolin-2-ylmethylamino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(quinolin-2-ylmethylamino)phenyl]acetonitrile
PubChem CID60673249
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name2-[4-(quinolin-2-ylmethylamino)phenyl]acetonitrile
SMILESN#CCc1ccc(NCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H15N3/c19-12-11-14-5-8-16(9-6-14)20-13-17-10-7-15-3-1-2-4-18(15)21-17/h1-10,20H,11,13H2
InChIKeyKSNVJTFPCKGAGK-UHFFFAOYSA-N
XLogP3.91
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(quinolin-2-ylmethylamino)phenyl]acetonitrile?
The IUPAC name of 2-[4-(quinolin-2-ylmethylamino)phenyl]acetonitrile (CID 60673249) is 2-[4-(quinolin-2-ylmethylamino)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(quinolin-2-ylmethylamino)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(quinolin-2-ylmethylamino)phenyl]acetonitrile is N#CCc1ccc(NCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[4-(quinolin-2-ylmethylamino)phenyl]acetonitrile?
The InChIKey is KSNVJTFPCKGAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c19-12-11-14-5-8-16(9-6-14)20-13-17-10-7-15-3-1-2-4-18(15)21-17/h1-10,20H,11,13H2.
What are the key properties of 2-[4-(quinolin-2-ylmethylamino)phenyl]acetonitrile?
2-[4-(quinolin-2-ylmethylamino)phenyl]acetonitrile has a molecular weight of 273.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(quinolin-2-ylmethylamino)phenyl]acetonitrile is sourced from PubChem (CID 60673249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).