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

C17H14N4 — CID 56927063

IUPAC4-(2-phenylethylamino)quinazoline-6-carbonitrile
SMILESN#Cc1ccc2ncnc(NCCc3ccccc3)c2c1
InChIInChI=1S/C17H14N4/c18-11-14-6-7-16-15(10-14)17(21-12-20-16)19-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,19,20,21)
InChIKeyXBJCNHGQFJFCOY-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.16
Rot. Bonds4

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

4-(2-phenylethylamino)quinazoline-6-carbonitrile (PubChem CID 56927063) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-(2-phenylethylamino)quinazoline-6-carbonitrile.

Molecular Properties

Compound Name4-(2-phenylethylamino)quinazoline-6-carbonitrile
PubChem CID56927063
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name4-(2-phenylethylamino)quinazoline-6-carbonitrile
SMILESN#Cc1ccc2ncnc(NCCc3ccccc3)c2c1
InChIInChI=1S/C17H14N4/c18-11-14-6-7-16-15(10-14)17(21-12-20-16)19-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,19,20,21)
InChIKeyXBJCNHGQFJFCOY-UHFFFAOYSA-N
XLogP3.16
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethylamino)quinazoline-6-carbonitrile?
The IUPAC name of 4-(2-phenylethylamino)quinazoline-6-carbonitrile (CID 56927063) is 4-(2-phenylethylamino)quinazoline-6-carbonitrile.
What is the SMILES notation for 4-(2-phenylethylamino)quinazoline-6-carbonitrile?
The canonical SMILES for 4-(2-phenylethylamino)quinazoline-6-carbonitrile is N#Cc1ccc2ncnc(NCCc3ccccc3)c2c1.
What is the InChIKey of 4-(2-phenylethylamino)quinazoline-6-carbonitrile?
The InChIKey is XBJCNHGQFJFCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c18-11-14-6-7-16-15(10-14)17(21-12-20-16)19-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,19,20,21).
What are the key properties of 4-(2-phenylethylamino)quinazoline-6-carbonitrile?
4-(2-phenylethylamino)quinazoline-6-carbonitrile has a molecular weight of 274.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethylamino)quinazoline-6-carbonitrile is sourced from PubChem (CID 56927063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).