8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline

C21H20FNO — CID 143372998

IUPAC8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline
SMILESFc1ccc(CC(OCC2CC2)c2cccc3cccnc23)cc1
InChIInChI=1S/C21H20FNO/c22-18-10-8-15(9-11-18)13-20(24-14-16-6-7-16)19-5-1-3-17-4-2-12-23-21(17)19/h1-5,8-12,16,20H,6-7,13-14H2
InChIKeyKYMAMUJJQBVCTN-UHFFFAOYSA-N
MW321.40 g/mol
LogP5.08
Rot. Bonds6

About 8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline

8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline (PubChem CID 143372998) has the molecular formula C21H20FNO and a molecular weight of 321.40 g/mol. Its IUPAC name is 8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline.

Molecular Properties

Compound Name8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline
PubChem CID143372998
Molecular FormulaC21H20FNO
Molecular Weight321.40 g/mol
Exact Mass321.15
IUPAC Name8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline
SMILESFc1ccc(CC(OCC2CC2)c2cccc3cccnc23)cc1
InChIInChI=1S/C21H20FNO/c22-18-10-8-15(9-11-18)13-20(24-14-16-6-7-16)19-5-1-3-17-4-2-12-23-21(17)19/h1-5,8-12,16,20H,6-7,13-14H2
InChIKeyKYMAMUJJQBVCTN-UHFFFAOYSA-N
XLogP5.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.40
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline?
The IUPAC name of 8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline (CID 143372998) is 8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline.
What is the SMILES notation for 8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline?
The canonical SMILES for 8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline is Fc1ccc(CC(OCC2CC2)c2cccc3cccnc23)cc1.
What is the InChIKey of 8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline?
The InChIKey is KYMAMUJJQBVCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO/c22-18-10-8-15(9-11-18)13-20(24-14-16-6-7-16)19-5-1-3-17-4-2-12-23-21(17)19/h1-5,8-12,16,20H,6-7,13-14H2.
What are the key properties of 8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline?
8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline has a molecular weight of 321.40 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(cyclopropylmethoxy)-2-(4-fluorophenyl)ethyl]quinoline is sourced from PubChem (CID 143372998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).