8-(cyclopropylmethoxy)-4-ethyl-7-fluorocinnoline

C14H15FN2O — CID 146353001

IUPAC8-(cyclopropylmethoxy)-4-ethyl-7-fluorocinnoline
SMILESCCc1cnnc2c(OCC3CC3)c(F)ccc12
InChIInChI=1S/C14H15FN2O/c1-2-10-7-16-17-13-11(10)5-6-12(15)14(13)18-8-9-3-4-9/h5-7,9H,2-4,8H2,1H3
InChIKeyFYFWSMYCWWZVLT-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.12
Rot. Bonds4

About 8-(cyclopropylmethoxy)-4-ethyl-7-fluorocinnoline

8-(cyclopropylmethoxy)-4-ethyl-7-fluorocinnoline (PubChem CID 146353001) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 8-(cyclopropylmethoxy)-4-ethyl-7-fluorocinnoline.

Molecular Properties

Compound Name8-(cyclopropylmethoxy)-4-ethyl-7-fluorocinnoline
PubChem CID146353001
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name8-(cyclopropylmethoxy)-4-ethyl-7-fluorocinnoline
SMILESCCc1cnnc2c(OCC3CC3)c(F)ccc12
InChIInChI=1S/C14H15FN2O/c1-2-10-7-16-17-13-11(10)5-6-12(15)14(13)18-8-9-3-4-9/h5-7,9H,2-4,8H2,1H3
InChIKeyFYFWSMYCWWZVLT-UHFFFAOYSA-N
XLogP3.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethoxy)-4-ethyl-7-fluorocinnoline?
The IUPAC name of 8-(cyclopropylmethoxy)-4-ethyl-7-fluorocinnoline (CID 146353001) is 8-(cyclopropylmethoxy)-4-ethyl-7-fluorocinnoline.
What is the SMILES notation for 8-(cyclopropylmethoxy)-4-ethyl-7-fluorocinnoline?
The canonical SMILES for 8-(cyclopropylmethoxy)-4-ethyl-7-fluorocinnoline is CCc1cnnc2c(OCC3CC3)c(F)ccc12.
What is the InChIKey of 8-(cyclopropylmethoxy)-4-ethyl-7-fluorocinnoline?
The InChIKey is FYFWSMYCWWZVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-2-10-7-16-17-13-11(10)5-6-12(15)14(13)18-8-9-3-4-9/h5-7,9H,2-4,8H2,1H3.
What are the key properties of 8-(cyclopropylmethoxy)-4-ethyl-7-fluorocinnoline?
8-(cyclopropylmethoxy)-4-ethyl-7-fluorocinnoline has a molecular weight of 246.28 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethoxy)-4-ethyl-7-fluorocinnoline is sourced from PubChem (CID 146353001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).