4-(quinolin-4-ylamino)benzonitrile

C16H11N3 — CID 50877162

IUPAC4-(quinolin-4-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2ccnc3ccccc23)cc1
InChIInChI=1S/C16H11N3/c17-11-12-5-7-13(8-6-12)19-16-9-10-18-15-4-2-1-3-14(15)16/h1-10H,(H,18,19)
InChIKeyCJBONXLCGWOZKU-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.85
Rot. Bonds2

About 4-(quinolin-4-ylamino)benzonitrile

4-(quinolin-4-ylamino)benzonitrile (PubChem CID 50877162) has the molecular formula C16H11N3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(quinolin-4-ylamino)benzonitrile.

Molecular Properties

Compound Name4-(quinolin-4-ylamino)benzonitrile
PubChem CID50877162
Molecular FormulaC16H11N3
Molecular Weight245.28 g/mol
Exact Mass245.10
IUPAC Name4-(quinolin-4-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2ccnc3ccccc23)cc1
InChIInChI=1S/C16H11N3/c17-11-12-5-7-13(8-6-12)19-16-9-10-18-15-4-2-1-3-14(15)16/h1-10H,(H,18,19)
InChIKeyCJBONXLCGWOZKU-UHFFFAOYSA-N
XLogP3.85
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-4-ylamino)benzonitrile?
The IUPAC name of 4-(quinolin-4-ylamino)benzonitrile (CID 50877162) is 4-(quinolin-4-ylamino)benzonitrile.
What is the SMILES notation for 4-(quinolin-4-ylamino)benzonitrile?
The canonical SMILES for 4-(quinolin-4-ylamino)benzonitrile is N#Cc1ccc(Nc2ccnc3ccccc23)cc1.
What is the InChIKey of 4-(quinolin-4-ylamino)benzonitrile?
The InChIKey is CJBONXLCGWOZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c17-11-12-5-7-13(8-6-12)19-16-9-10-18-15-4-2-1-3-14(15)16/h1-10H,(H,18,19).
What are the key properties of 4-(quinolin-4-ylamino)benzonitrile?
4-(quinolin-4-ylamino)benzonitrile has a molecular weight of 245.28 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-4-ylamino)benzonitrile is sourced from PubChem (CID 50877162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).