6-ethoxy-2,2-dimethyl-1H-quinoline

C13H17NO — CID 18318065

IUPAC6-ethoxy-2,2-dimethyl-1H-quinoline
SMILESCCOc1ccc2c(c1)C=CC(C)(C)N2
InChIInChI=1S/C13H17NO/c1-4-15-11-5-6-12-10(9-11)7-8-13(2,3)14-12/h5-9,14H,4H2,1-3H3
InChIKeyRSJOCYQSNCNVNV-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.30
Rot. Bonds2

About 6-ethoxy-2,2-dimethyl-1H-quinoline

6-ethoxy-2,2-dimethyl-1H-quinoline (PubChem CID 18318065) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 6-ethoxy-2,2-dimethyl-1H-quinoline.

Molecular Properties

Compound Name6-ethoxy-2,2-dimethyl-1H-quinoline
PubChem CID18318065
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name6-ethoxy-2,2-dimethyl-1H-quinoline
SMILESCCOc1ccc2c(c1)C=CC(C)(C)N2
InChIInChI=1S/C13H17NO/c1-4-15-11-5-6-12-10(9-11)7-8-13(2,3)14-12/h5-9,14H,4H2,1-3H3
InChIKeyRSJOCYQSNCNVNV-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2,2-dimethyl-1H-quinoline?
The IUPAC name of 6-ethoxy-2,2-dimethyl-1H-quinoline (CID 18318065) is 6-ethoxy-2,2-dimethyl-1H-quinoline.
What is the SMILES notation for 6-ethoxy-2,2-dimethyl-1H-quinoline?
The canonical SMILES for 6-ethoxy-2,2-dimethyl-1H-quinoline is CCOc1ccc2c(c1)C=CC(C)(C)N2.
What is the InChIKey of 6-ethoxy-2,2-dimethyl-1H-quinoline?
The InChIKey is RSJOCYQSNCNVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-4-15-11-5-6-12-10(9-11)7-8-13(2,3)14-12/h5-9,14H,4H2,1-3H3.
What are the key properties of 6-ethoxy-2,2-dimethyl-1H-quinoline?
6-ethoxy-2,2-dimethyl-1H-quinoline has a molecular weight of 203.28 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2,2-dimethyl-1H-quinoline is sourced from PubChem (CID 18318065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).