4-(2-phenylethylamino)quinoline-6-carbonitrile

C18H15N3 — CID 146403408

IUPAC4-(2-phenylethylamino)quinoline-6-carbonitrile
SMILESN#Cc1ccc2nccc(NCCc3ccccc3)c2c1
InChIInChI=1S/C18H15N3/c19-13-15-6-7-17-16(12-15)18(9-11-21-17)20-10-8-14-4-2-1-3-5-14/h1-7,9,11-12H,8,10H2,(H,20,21)
InChIKeyKRKQQBUPNGUMRJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.76
Rot. Bonds4

About 4-(2-phenylethylamino)quinoline-6-carbonitrile

4-(2-phenylethylamino)quinoline-6-carbonitrile (PubChem CID 146403408) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(2-phenylethylamino)quinoline-6-carbonitrile.

Molecular Properties

Compound Name4-(2-phenylethylamino)quinoline-6-carbonitrile
PubChem CID146403408
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name4-(2-phenylethylamino)quinoline-6-carbonitrile
SMILESN#Cc1ccc2nccc(NCCc3ccccc3)c2c1
InChIInChI=1S/C18H15N3/c19-13-15-6-7-17-16(12-15)18(9-11-21-17)20-10-8-14-4-2-1-3-5-14/h1-7,9,11-12H,8,10H2,(H,20,21)
InChIKeyKRKQQBUPNGUMRJ-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethylamino)quinoline-6-carbonitrile?
The IUPAC name of 4-(2-phenylethylamino)quinoline-6-carbonitrile (CID 146403408) is 4-(2-phenylethylamino)quinoline-6-carbonitrile.
What is the SMILES notation for 4-(2-phenylethylamino)quinoline-6-carbonitrile?
The canonical SMILES for 4-(2-phenylethylamino)quinoline-6-carbonitrile is N#Cc1ccc2nccc(NCCc3ccccc3)c2c1.
What is the InChIKey of 4-(2-phenylethylamino)quinoline-6-carbonitrile?
The InChIKey is KRKQQBUPNGUMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c19-13-15-6-7-17-16(12-15)18(9-11-21-17)20-10-8-14-4-2-1-3-5-14/h1-7,9,11-12H,8,10H2,(H,20,21).
What are the key properties of 4-(2-phenylethylamino)quinoline-6-carbonitrile?
4-(2-phenylethylamino)quinoline-6-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethylamino)quinoline-6-carbonitrile is sourced from PubChem (CID 146403408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).