quinoline-4-carbonyl cyanide

C11H6N2O — CID 119091066

IUPACquinoline-4-carbonyl cyanide
SMILESN#CC(=O)c1ccnc2ccccc12
InChIInChI=1S/C11H6N2O/c12-7-11(14)9-5-6-13-10-4-2-1-3-8(9)10/h1-6H
InChIKeyDQQJVLXAGSLLAC-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.94
Rot. Bonds1

About quinoline-4-carbonyl cyanide

quinoline-4-carbonyl cyanide (PubChem CID 119091066) has the molecular formula C11H6N2O and a molecular weight of 182.18 g/mol. Its IUPAC name is quinoline-4-carbonyl cyanide.

Molecular Properties

Compound Namequinoline-4-carbonyl cyanide
PubChem CID119091066
Molecular FormulaC11H6N2O
Molecular Weight182.18 g/mol
Exact Mass182.05
IUPAC Namequinoline-4-carbonyl cyanide
SMILESN#CC(=O)c1ccnc2ccccc12
InChIInChI=1S/C11H6N2O/c12-7-11(14)9-5-6-13-10-4-2-1-3-8(9)10/h1-6H
InChIKeyDQQJVLXAGSLLAC-UHFFFAOYSA-N
XLogP1.94
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_cyanide', 'substructure': 'N/A'}

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Related Compounds

2-quinolin-4-ylprop-2-enenitrile
CID 143863214
1-quinolin-4-ylbut-3-yn-1-one
CID 105076388
N-(2-cyanopropan-2-yl)quinoline-4-carboxamide
CID 113224905
2,2-dimethyl-1-quinolin-4-ylpropan-1-one
CID 12913278
2-bromo-1-quinolin-4-ylethanone;hydrobromide
CID 86652931
2-hydroxy-1-quinolin-4-ylpropan-1-one
CID 175106314
N-(1-cyanocyclopentyl)quinoline-4-carboxamide
CID 112722770
(4-iodophenyl)-quinolin-4-ylmethanone
CID 86811146
methyl 2-cyano-3-quinolin-4-ylprop-2-enoate
CID 91169635
(3-methoxypyrazin-2-yl)-quinolin-4-ylmethanone
CID 105126876
N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013
(4Z)-N-hydroxyquinoline-4-carboximidoyl chloride
CID 137004396

Frequently Asked Questions

What is the IUPAC name of quinoline-4-carbonyl cyanide?
The IUPAC name of quinoline-4-carbonyl cyanide (CID 119091066) is quinoline-4-carbonyl cyanide.
What is the SMILES notation for quinoline-4-carbonyl cyanide?
The canonical SMILES for quinoline-4-carbonyl cyanide is N#CC(=O)c1ccnc2ccccc12.
What is the InChIKey of quinoline-4-carbonyl cyanide?
The InChIKey is DQQJVLXAGSLLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O/c12-7-11(14)9-5-6-13-10-4-2-1-3-8(9)10/h1-6H.
What are the key properties of quinoline-4-carbonyl cyanide?
quinoline-4-carbonyl cyanide has a molecular weight of 182.18 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline-4-carbonyl cyanide is sourced from PubChem (CID 119091066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).