3-[(4-fluorophenyl)methoxy]-2-methylquinoline

C17H14FNO — CID 3787931

IUPAC3-[(4-fluorophenyl)methoxy]-2-methylquinoline
SMILESCc1nc2ccccc2cc1OCc1ccc(F)cc1
InChIInChI=1S/C17H14FNO/c1-12-17(10-14-4-2-3-5-16(14)19-12)20-11-13-6-8-15(18)9-7-13/h2-10H,11H2,1H3
InChIKeyUCKMAYAEGOOXBZ-UHFFFAOYSA-N
MW267.30 g/mol
LogP4.26
Rot. Bonds3

About 3-[(4-fluorophenyl)methoxy]-2-methylquinoline

3-[(4-fluorophenyl)methoxy]-2-methylquinoline (PubChem CID 3787931) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-2-methylquinoline.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-2-methylquinoline
PubChem CID3787931
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name3-[(4-fluorophenyl)methoxy]-2-methylquinoline
SMILESCc1nc2ccccc2cc1OCc1ccc(F)cc1
InChIInChI=1S/C17H14FNO/c1-12-17(10-14-4-2-3-5-16(14)19-12)20-11-13-6-8-15(18)9-7-13/h2-10H,11H2,1H3
InChIKeyUCKMAYAEGOOXBZ-UHFFFAOYSA-N
XLogP4.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-2-methylquinoline?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-2-methylquinoline (CID 3787931) is 3-[(4-fluorophenyl)methoxy]-2-methylquinoline.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-2-methylquinoline?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-2-methylquinoline is Cc1nc2ccccc2cc1OCc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-2-methylquinoline?
The InChIKey is UCKMAYAEGOOXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c1-12-17(10-14-4-2-3-5-16(14)19-12)20-11-13-6-8-15(18)9-7-13/h2-10H,11H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methoxy]-2-methylquinoline?
3-[(4-fluorophenyl)methoxy]-2-methylquinoline has a molecular weight of 267.30 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-2-methylquinoline is sourced from PubChem (CID 3787931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).