4-[(2-chlorophenyl)methoxymethyl]-8-fluoroquinoline

C17H13ClFNO — CID 172633643

IUPAC4-[(2-chlorophenyl)methoxymethyl]-8-fluoroquinoline
SMILESFc1cccc2c(COCc3ccccc3Cl)ccnc12
InChIInChI=1S/C17H13ClFNO/c18-15-6-2-1-4-13(15)11-21-10-12-8-9-20-17-14(12)5-3-7-16(17)19/h1-9H,10-11H2
InChIKeyQBBOKMDQMKFYAY-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.74
Rot. Bonds4

About 4-[(2-chlorophenyl)methoxymethyl]-8-fluoroquinoline

4-[(2-chlorophenyl)methoxymethyl]-8-fluoroquinoline (PubChem CID 172633643) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxymethyl]-8-fluoroquinoline.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxymethyl]-8-fluoroquinoline
PubChem CID172633643
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC Name4-[(2-chlorophenyl)methoxymethyl]-8-fluoroquinoline
SMILESFc1cccc2c(COCc3ccccc3Cl)ccnc12
InChIInChI=1S/C17H13ClFNO/c18-15-6-2-1-4-13(15)11-21-10-12-8-9-20-17-14(12)5-3-7-16(17)19/h1-9H,10-11H2
InChIKeyQBBOKMDQMKFYAY-UHFFFAOYSA-N
XLogP4.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxymethyl]-8-fluoroquinoline?
The IUPAC name of 4-[(2-chlorophenyl)methoxymethyl]-8-fluoroquinoline (CID 172633643) is 4-[(2-chlorophenyl)methoxymethyl]-8-fluoroquinoline.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxymethyl]-8-fluoroquinoline?
The canonical SMILES for 4-[(2-chlorophenyl)methoxymethyl]-8-fluoroquinoline is Fc1cccc2c(COCc3ccccc3Cl)ccnc12.
What is the InChIKey of 4-[(2-chlorophenyl)methoxymethyl]-8-fluoroquinoline?
The InChIKey is QBBOKMDQMKFYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO/c18-15-6-2-1-4-13(15)11-21-10-12-8-9-20-17-14(12)5-3-7-16(17)19/h1-9H,10-11H2.
What are the key properties of 4-[(2-chlorophenyl)methoxymethyl]-8-fluoroquinoline?
4-[(2-chlorophenyl)methoxymethyl]-8-fluoroquinoline has a molecular weight of 301.75 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxymethyl]-8-fluoroquinoline is sourced from PubChem (CID 172633643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).