quinoline

C9H7N — CID 7047

IUPACquinoline
SMILESc1ccc2ncccc2c1
InChIInChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
InChIKeySMWDFEZZVXVKRB-UHFFFAOYSA-N
MW129.16 g/mol
LogP2.23
Rot. Bonds

About quinoline

quinoline (PubChem CID 7047) has the molecular formula C9H7N and a molecular weight of 129.16 g/mol. Its IUPAC name is quinoline.

Molecular Properties

Compound Namequinoline
PubChem CID7047
Molecular FormulaC9H7N
Molecular Weight129.16 g/mol
Exact Mass129.06
IUPAC Namequinoline
SMILESc1ccc2ncccc2c1
InChIInChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
InChIKeySMWDFEZZVXVKRB-UHFFFAOYSA-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 ≤ 500129.16
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Indole
CID 798
4-Nitroquinoline 1-Oxide
CID 5955
Pheniramine
CID 4761
Acridine
CID 9215
6-Methylquinoline
CID 7059
Myosmine
CID 442649
1,10-Phenanthroline
CID 1318
Isoquinoline
CID 8405
2-Methylquinoline
CID 7060
5-Methylquinoxaline
CID 61670
5-Ethyl-2-methylpyridine
CID 7728
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664

Frequently Asked Questions

What is the IUPAC name of quinoline?
The IUPAC name of quinoline (CID 7047) is quinoline.
What is the SMILES notation for quinoline?
The canonical SMILES for quinoline is c1ccc2ncccc2c1.
What is the InChIKey of quinoline?
The InChIKey is SMWDFEZZVXVKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H.
What are the key properties of quinoline?
quinoline has a molecular weight of 129.16 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 7047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).