4-(2-methoxyethyl)quinoline

C12H13NO — CID 119084537

IUPAC4-(2-methoxyethyl)quinoline
SMILESCOCCc1ccnc2ccccc12
InChIInChI=1S/C12H13NO/c1-14-9-7-10-6-8-13-12-5-3-2-4-11(10)12/h2-6,8H,7,9H2,1H3
InChIKeyPKUCOXAVONRNOH-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.42
Rot. Bonds3

About 4-(2-methoxyethyl)quinoline

4-(2-methoxyethyl)quinoline (PubChem CID 119084537) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(2-methoxyethyl)quinoline.

Molecular Properties

Compound Name4-(2-methoxyethyl)quinoline
PubChem CID119084537
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4-(2-methoxyethyl)quinoline
SMILESCOCCc1ccnc2ccccc12
InChIInChI=1S/C12H13NO/c1-14-9-7-10-6-8-13-12-5-3-2-4-11(10)12/h2-6,8H,7,9H2,1H3
InChIKeyPKUCOXAVONRNOH-UHFFFAOYSA-N
XLogP2.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)quinoline?
The IUPAC name of 4-(2-methoxyethyl)quinoline (CID 119084537) is 4-(2-methoxyethyl)quinoline.
What is the SMILES notation for 4-(2-methoxyethyl)quinoline?
The canonical SMILES for 4-(2-methoxyethyl)quinoline is COCCc1ccnc2ccccc12.
What is the InChIKey of 4-(2-methoxyethyl)quinoline?
The InChIKey is PKUCOXAVONRNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-14-9-7-10-6-8-13-12-5-3-2-4-11(10)12/h2-6,8H,7,9H2,1H3.
What are the key properties of 4-(2-methoxyethyl)quinoline?
4-(2-methoxyethyl)quinoline has a molecular weight of 187.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)quinoline is sourced from PubChem (CID 119084537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).