7-chloro-2-(cyclohexa-1,3-dien-1-yloxymethyl)-6-fluoroquinoline

C16H13ClFNO — CID 142666459

IUPAC7-chloro-2-(cyclohexa-1,3-dien-1-yloxymethyl)-6-fluoroquinoline
SMILESFc1cc2ccc(COC3=CC=CCC3)nc2cc1Cl
InChIInChI=1S/C16H13ClFNO/c17-14-9-16-11(8-15(14)18)6-7-12(19-16)10-20-13-4-2-1-3-5-13/h1-2,4,6-9H,3,5,10H2
InChIKeyFNDCCPHFEBRWEL-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.78
Rot. Bonds3

About 7-chloro-2-(cyclohexa-1,3-dien-1-yloxymethyl)-6-fluoroquinoline

7-chloro-2-(cyclohexa-1,3-dien-1-yloxymethyl)-6-fluoroquinoline (PubChem CID 142666459) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 7-chloro-2-(cyclohexa-1,3-dien-1-yloxymethyl)-6-fluoroquinoline.

Molecular Properties

Compound Name7-chloro-2-(cyclohexa-1,3-dien-1-yloxymethyl)-6-fluoroquinoline
PubChem CID142666459
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name7-chloro-2-(cyclohexa-1,3-dien-1-yloxymethyl)-6-fluoroquinoline
SMILESFc1cc2ccc(COC3=CC=CCC3)nc2cc1Cl
InChIInChI=1S/C16H13ClFNO/c17-14-9-16-11(8-15(14)18)6-7-12(19-16)10-20-13-4-2-1-3-5-13/h1-2,4,6-9H,3,5,10H2
InChIKeyFNDCCPHFEBRWEL-UHFFFAOYSA-N
XLogP4.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(cyclohexa-1,3-dien-1-yloxymethyl)-6-fluoroquinoline?
The IUPAC name of 7-chloro-2-(cyclohexa-1,3-dien-1-yloxymethyl)-6-fluoroquinoline (CID 142666459) is 7-chloro-2-(cyclohexa-1,3-dien-1-yloxymethyl)-6-fluoroquinoline.
What is the SMILES notation for 7-chloro-2-(cyclohexa-1,3-dien-1-yloxymethyl)-6-fluoroquinoline?
The canonical SMILES for 7-chloro-2-(cyclohexa-1,3-dien-1-yloxymethyl)-6-fluoroquinoline is Fc1cc2ccc(COC3=CC=CCC3)nc2cc1Cl.
What is the InChIKey of 7-chloro-2-(cyclohexa-1,3-dien-1-yloxymethyl)-6-fluoroquinoline?
The InChIKey is FNDCCPHFEBRWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c17-14-9-16-11(8-15(14)18)6-7-12(19-16)10-20-13-4-2-1-3-5-13/h1-2,4,6-9H,3,5,10H2.
What are the key properties of 7-chloro-2-(cyclohexa-1,3-dien-1-yloxymethyl)-6-fluoroquinoline?
7-chloro-2-(cyclohexa-1,3-dien-1-yloxymethyl)-6-fluoroquinoline has a molecular weight of 289.74 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(cyclohexa-1,3-dien-1-yloxymethyl)-6-fluoroquinoline is sourced from PubChem (CID 142666459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).