8-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-2-methylquinoline

C17H20BrNO — CID 66343662

IUPAC8-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-2-methylquinoline
SMILESCCC1(C)C(Br)CC1Oc1cccc2ccc(C)nc12
InChIInChI=1S/C17H20BrNO/c1-4-17(3)14(18)10-15(17)20-13-7-5-6-12-9-8-11(2)19-16(12)13/h5-9,14-15H,4,10H2,1-3H3
InChIKeyFXNFEESNWXZPHQ-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.87
Rot. Bonds3

About 8-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-2-methylquinoline

8-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-2-methylquinoline (PubChem CID 66343662) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 8-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-2-methylquinoline.

Molecular Properties

Compound Name8-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-2-methylquinoline
PubChem CID66343662
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name8-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-2-methylquinoline
SMILESCCC1(C)C(Br)CC1Oc1cccc2ccc(C)nc12
InChIInChI=1S/C17H20BrNO/c1-4-17(3)14(18)10-15(17)20-13-7-5-6-12-9-8-11(2)19-16(12)13/h5-9,14-15H,4,10H2,1-3H3
InChIKeyFXNFEESNWXZPHQ-UHFFFAOYSA-N
XLogP4.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-2-methylquinoline?
The IUPAC name of 8-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-2-methylquinoline (CID 66343662) is 8-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-2-methylquinoline.
What is the SMILES notation for 8-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-2-methylquinoline?
The canonical SMILES for 8-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-2-methylquinoline is CCC1(C)C(Br)CC1Oc1cccc2ccc(C)nc12.
What is the InChIKey of 8-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-2-methylquinoline?
The InChIKey is FXNFEESNWXZPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-4-17(3)14(18)10-15(17)20-13-7-5-6-12-9-8-11(2)19-16(12)13/h5-9,14-15H,4,10H2,1-3H3.
What are the key properties of 8-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-2-methylquinoline?
8-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-2-methylquinoline has a molecular weight of 334.26 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-2-methylquinoline is sourced from PubChem (CID 66343662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).