quinoline

C9H7N — CID 76974643

IUPACquinoline
SMILESc1c[15n][13c]2[13cH][13cH][13cH][13cH][13c]2c1
InChIInChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H/i1+1,2+1,4+1,6+1,8+1,9+1,10+1
InChIKeySMWDFEZZVXVKRB-IZEVNRKTSA-N
MW136.11 g/mol
LogP2.23
Rot. Bonds

About quinoline

quinoline (PubChem CID 76974643) has the molecular formula C9H7N and a molecular weight of 136.11 g/mol. Its IUPAC name is quinoline.

Molecular Properties

Compound Namequinoline
PubChem CID76974643
Molecular FormulaC9H7N
Molecular Weight136.11 g/mol
Exact Mass136.08
IUPAC Namequinoline
SMILESc1c[15n][13c]2[13cH][13cH][13cH][13cH][13c]2c1
InChIInChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H/i1+1,2+1,4+1,6+1,8+1,9+1,10+1
InChIKeySMWDFEZZVXVKRB-IZEVNRKTSA-N
XLogP2.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

quinoline;silver
CID 88761492
osmium(2+);quinoline
CID 158407120
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
platinum(2+);quinoline
CID 50910245
CID 159709187
CID 159709187
quinoline;titanium;hydrate
CID 174714429
quinoline;quinoxaline
CID 66672759
quinoline;hydrochloride;hydroiodide
CID 161378453
CID 174859636
CID 174859636
nickel(2+);quinoline;diiodide
CID 162206226
CID 160566295
CID 160566295

Frequently Asked Questions

What is the IUPAC name of quinoline?
The IUPAC name of quinoline (CID 76974643) is quinoline.
What is the SMILES notation for quinoline?
The canonical SMILES for quinoline is c1c[15n][13c]2[13cH][13cH][13cH][13cH][13c]2c1.
What is the InChIKey of quinoline?
The InChIKey is SMWDFEZZVXVKRB-IZEVNRKTSA-N. The full InChI is InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H/i1+1,2+1,4+1,6+1,8+1,9+1,10+1.
What are the key properties of quinoline?
quinoline has a molecular weight of 136.11 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline is sourced from PubChem (CID 76974643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).