4-(benzotriazol-1-yl)quinoline-3-carbonitrile

C16H9N5 — CID 43669171

IUPAC4-(benzotriazol-1-yl)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1-n1nnc2ccccc21
InChIInChI=1S/C16H9N5/c17-9-11-10-18-13-6-2-1-5-12(13)16(11)21-15-8-4-3-7-14(15)19-20-21/h1-8,10H
InChIKeyFRFJWZOCKAZCLB-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.84
Rot. Bonds1

About 4-(benzotriazol-1-yl)quinoline-3-carbonitrile

4-(benzotriazol-1-yl)quinoline-3-carbonitrile (PubChem CID 43669171) has the molecular formula C16H9N5 and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-(benzotriazol-1-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(benzotriazol-1-yl)quinoline-3-carbonitrile
PubChem CID43669171
Molecular FormulaC16H9N5
Molecular Weight271.28 g/mol
Exact Mass271.09
IUPAC Name4-(benzotriazol-1-yl)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1-n1nnc2ccccc21
InChIInChI=1S/C16H9N5/c17-9-11-10-18-13-6-2-1-5-12(13)16(11)21-15-8-4-3-7-14(15)19-20-21/h1-8,10H
InChIKeyFRFJWZOCKAZCLB-UHFFFAOYSA-N
XLogP2.84
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile
CID 43669154
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)quinoline-3-carbonitrile
CID 133323058
2-amino-5-(benzotriazol-1-yl)benzonitrile
CID 113324056
4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile
CID 43669097
4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 78885767
1-(10-phenylanthracen-9-yl)benzotriazole
CID 87098242
4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile
CID 55076424
2-(benzotriazol-1-yl)-4-(benzotriazol-1-ylmethyl)benzonitrile
CID 155216027
4-(4-ethenylpiperidin-1-yl)quinoline-3-carbonitrile
CID 133321761
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
2-(benzotriazol-1-yl)quinoxaline
CID 11096911
4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile
CID 107225382

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-yl)quinoline-3-carbonitrile?
The IUPAC name of 4-(benzotriazol-1-yl)quinoline-3-carbonitrile (CID 43669171) is 4-(benzotriazol-1-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(benzotriazol-1-yl)quinoline-3-carbonitrile?
The canonical SMILES for 4-(benzotriazol-1-yl)quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1-n1nnc2ccccc21.
What is the InChIKey of 4-(benzotriazol-1-yl)quinoline-3-carbonitrile?
The InChIKey is FRFJWZOCKAZCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N5/c17-9-11-10-18-13-6-2-1-5-12(13)16(11)21-15-8-4-3-7-14(15)19-20-21/h1-8,10H.
What are the key properties of 4-(benzotriazol-1-yl)quinoline-3-carbonitrile?
4-(benzotriazol-1-yl)quinoline-3-carbonitrile has a molecular weight of 271.28 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 43669171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).