2-anilinoquinoline-4-carbonitrile

C16H11N3 — CID 63884486

IUPAC2-anilinoquinoline-4-carbonitrile
SMILESN#Cc1cc(Nc2ccccc2)nc2ccccc12
InChIInChI=1S/C16H11N3/c17-11-12-10-16(18-13-6-2-1-3-7-13)19-15-9-5-4-8-14(12)15/h1-10H,(H,18,19)
InChIKeyGEFMCAYFAKKCBB-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.85
Rot. Bonds2

About 2-anilinoquinoline-4-carbonitrile

2-anilinoquinoline-4-carbonitrile (PubChem CID 63884486) has the molecular formula C16H11N3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-anilinoquinoline-4-carbonitrile.

Molecular Properties

Compound Name2-anilinoquinoline-4-carbonitrile
PubChem CID63884486
Molecular FormulaC16H11N3
Molecular Weight245.28 g/mol
Exact Mass245.10
IUPAC Name2-anilinoquinoline-4-carbonitrile
SMILESN#Cc1cc(Nc2ccccc2)nc2ccccc12
InChIInChI=1S/C16H11N3/c17-11-12-10-16(18-13-6-2-1-3-7-13)19-15-9-5-4-8-14(12)15/h1-10H,(H,18,19)
InChIKeyGEFMCAYFAKKCBB-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 2-anilinoquinoline-4-carbonitrile?
The IUPAC name of 2-anilinoquinoline-4-carbonitrile (CID 63884486) is 2-anilinoquinoline-4-carbonitrile.
What is the SMILES notation for 2-anilinoquinoline-4-carbonitrile?
The canonical SMILES for 2-anilinoquinoline-4-carbonitrile is N#Cc1cc(Nc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-anilinoquinoline-4-carbonitrile?
The InChIKey is GEFMCAYFAKKCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c17-11-12-10-16(18-13-6-2-1-3-7-13)19-15-9-5-4-8-14(12)15/h1-10H,(H,18,19).
What are the key properties of 2-anilinoquinoline-4-carbonitrile?
2-anilinoquinoline-4-carbonitrile 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 2-anilinoquinoline-4-carbonitrile is sourced from PubChem (CID 63884486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).