2-(quinolin-8-ylamino)benzonitrile

C16H11N3 — CID 28601412

IUPAC2-(quinolin-8-ylamino)benzonitrile
SMILESN#Cc1ccccc1Nc1cccc2cccnc12
InChIInChI=1S/C16H11N3/c17-11-13-5-1-2-8-14(13)19-15-9-3-6-12-7-4-10-18-16(12)15/h1-10,19H
InChIKeyYBHQUCBXOUSERL-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.85
Rot. Bonds2

About 2-(quinolin-8-ylamino)benzonitrile

2-(quinolin-8-ylamino)benzonitrile (PubChem CID 28601412) has the molecular formula C16H11N3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(quinolin-8-ylamino)benzonitrile.

Molecular Properties

Compound Name2-(quinolin-8-ylamino)benzonitrile
PubChem CID28601412
Molecular FormulaC16H11N3
Molecular Weight245.28 g/mol
Exact Mass245.10
IUPAC Name2-(quinolin-8-ylamino)benzonitrile
SMILESN#Cc1ccccc1Nc1cccc2cccnc12
InChIInChI=1S/C16H11N3/c17-11-13-5-1-2-8-14(13)19-15-9-3-6-12-7-4-10-18-16(12)15/h1-10,19H
InChIKeyYBHQUCBXOUSERL-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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Related Compounds

2-[2-[2-(quinolin-8-ylamino)ethylamino]ethylamino]benzonitrile
CID 67942464
1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109050221
quinoline-8-carbonitrile;trihydrochloride
CID 141468212
N-pyridin-2-ylquinolin-8-amine
CID 82537542
2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine
CID 132526899
N-quinolin-8-ylhydroxylamine
CID 22011433
8-aminoquinoline-7-carbonitrile
CID 13439027
2-(1H-imidazol-2-ylamino)benzonitrile
CID 83696844
N-[2-[2-(aminomethyl)phenyl]phenyl]quinolin-8-amine
CID 174947176
2-(2-bromoanilino)benzonitrile
CID 28602037
8-ethynylquinoline-7-carbonitrile
CID 121226483
N-methoxyquinolin-8-amine
CID 143696561

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-8-ylamino)benzonitrile?
The IUPAC name of 2-(quinolin-8-ylamino)benzonitrile (CID 28601412) is 2-(quinolin-8-ylamino)benzonitrile.
What is the SMILES notation for 2-(quinolin-8-ylamino)benzonitrile?
The canonical SMILES for 2-(quinolin-8-ylamino)benzonitrile is N#Cc1ccccc1Nc1cccc2cccnc12.
What is the InChIKey of 2-(quinolin-8-ylamino)benzonitrile?
The InChIKey is YBHQUCBXOUSERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c17-11-13-5-1-2-8-14(13)19-15-9-3-6-12-7-4-10-18-16(12)15/h1-10,19H.
What are the key properties of 2-(quinolin-8-ylamino)benzonitrile?
2-(quinolin-8-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 2-(quinolin-8-ylamino)benzonitrile is sourced from PubChem (CID 28601412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).