8-cyclopropylquinoline

C12H11N — CID 66823369

IUPAC8-cyclopropylquinoline
SMILESc1cnc2c(C3CC3)cccc2c1
InChIInChI=1S/C12H11N/c1-3-10-4-2-8-13-12(10)11(5-1)9-6-7-9/h1-5,8-9H,6-7H2
InChIKeyXAJSOPHBYUJCPR-UHFFFAOYSA-N
MW169.23 g/mol
LogP3.11
Rot. Bonds1

About 8-cyclopropylquinoline

8-cyclopropylquinoline (PubChem CID 66823369) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is 8-cyclopropylquinoline.

Molecular Properties

Compound Name8-cyclopropylquinoline
PubChem CID66823369
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name8-cyclopropylquinoline
SMILESc1cnc2c(C3CC3)cccc2c1
InChIInChI=1S/C12H11N/c1-3-10-4-2-8-13-12(10)11(5-1)9-6-7-9/h1-5,8-9H,6-7H2
InChIKeyXAJSOPHBYUJCPR-UHFFFAOYSA-N
XLogP3.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropylquinoline?
The IUPAC name of 8-cyclopropylquinoline (CID 66823369) is 8-cyclopropylquinoline.
What is the SMILES notation for 8-cyclopropylquinoline?
The canonical SMILES for 8-cyclopropylquinoline is c1cnc2c(C3CC3)cccc2c1.
What is the InChIKey of 8-cyclopropylquinoline?
The InChIKey is XAJSOPHBYUJCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N/c1-3-10-4-2-8-13-12(10)11(5-1)9-6-7-9/h1-5,8-9H,6-7H2.
What are the key properties of 8-cyclopropylquinoline?
8-cyclopropylquinoline has a molecular weight of 169.23 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropylquinoline is sourced from PubChem (CID 66823369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).