2,4-dimethoxy-3-propylquinoline

C14H17NO2 — CID 70166737

IUPAC2,4-dimethoxy-3-propylquinoline
SMILESCCCc1c(OC)nc2ccccc2c1OC
InChIInChI=1S/C14H17NO2/c1-4-7-11-13(16-2)10-8-5-6-9-12(10)15-14(11)17-3/h5-6,8-9H,4,7H2,1-3H3
InChIKeyMUAQVMCRACJXJE-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.20
Rot. Bonds4

About 2,4-dimethoxy-3-propylquinoline

2,4-dimethoxy-3-propylquinoline (PubChem CID 70166737) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2,4-dimethoxy-3-propylquinoline.

Molecular Properties

Compound Name2,4-dimethoxy-3-propylquinoline
PubChem CID70166737
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2,4-dimethoxy-3-propylquinoline
SMILESCCCc1c(OC)nc2ccccc2c1OC
InChIInChI=1S/C14H17NO2/c1-4-7-11-13(16-2)10-8-5-6-9-12(10)15-14(11)17-3/h5-6,8-9H,4,7H2,1-3H3
InChIKeyMUAQVMCRACJXJE-UHFFFAOYSA-N
XLogP3.20
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-3-propylquinoline?
The IUPAC name of 2,4-dimethoxy-3-propylquinoline (CID 70166737) is 2,4-dimethoxy-3-propylquinoline.
What is the SMILES notation for 2,4-dimethoxy-3-propylquinoline?
The canonical SMILES for 2,4-dimethoxy-3-propylquinoline is CCCc1c(OC)nc2ccccc2c1OC.
What is the InChIKey of 2,4-dimethoxy-3-propylquinoline?
The InChIKey is MUAQVMCRACJXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-7-11-13(16-2)10-8-5-6-9-12(10)15-14(11)17-3/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 2,4-dimethoxy-3-propylquinoline?
2,4-dimethoxy-3-propylquinoline has a molecular weight of 231.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-3-propylquinoline is sourced from PubChem (CID 70166737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).