4-butylquinoline

C13H15N — CID 14641784

IUPAC4-butylquinoline
SMILESCCCCc1ccnc2ccccc12
InChIInChI=1S/C13H15N/c1-2-3-6-11-9-10-14-13-8-5-4-7-12(11)13/h4-5,7-10H,2-3,6H2,1H3
InChIKeyMTSCTQMKKVEJHD-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.58
Rot. Bonds3

About 4-butylquinoline

4-butylquinoline (PubChem CID 14641784) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-butylquinoline.

Molecular Properties

Compound Name4-butylquinoline
PubChem CID14641784
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name4-butylquinoline
SMILESCCCCc1ccnc2ccccc12
InChIInChI=1S/C13H15N/c1-2-3-6-11-9-10-14-13-8-5-4-7-12(11)13/h4-5,7-10H,2-3,6H2,1H3
InChIKeyMTSCTQMKKVEJHD-UHFFFAOYSA-N
XLogP3.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butylquinoline?
The IUPAC name of 4-butylquinoline (CID 14641784) is 4-butylquinoline.
What is the SMILES notation for 4-butylquinoline?
The canonical SMILES for 4-butylquinoline is CCCCc1ccnc2ccccc12.
What is the InChIKey of 4-butylquinoline?
The InChIKey is MTSCTQMKKVEJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-2-3-6-11-9-10-14-13-8-5-4-7-12(11)13/h4-5,7-10H,2-3,6H2,1H3.
What are the key properties of 4-butylquinoline?
4-butylquinoline has a molecular weight of 185.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylquinoline is sourced from PubChem (CID 14641784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).