2-[(3-fluorophenyl)methoxy]-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline

C20H18FN3O — CID 73335952

IUPAC2-[(3-fluorophenyl)methoxy]-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline
SMILESFc1cccc(COc2cc(-c3cncnc3)c3c(n2)CCCC3)c1
InChIInChI=1S/C20H18FN3O/c21-16-5-3-4-14(8-16)12-25-20-9-18(15-10-22-13-23-11-15)17-6-1-2-7-19(17)24-20/h3-5,8-11,13H,1-2,6-7,12H2
InChIKeyXNDOWJRYKLZLJT-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.14
Rot. Bonds4

About 2-[(3-fluorophenyl)methoxy]-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline

2-[(3-fluorophenyl)methoxy]-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline (PubChem CID 73335952) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methoxy]-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methoxy]-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline
PubChem CID73335952
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name2-[(3-fluorophenyl)methoxy]-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline
SMILESFc1cccc(COc2cc(-c3cncnc3)c3c(n2)CCCC3)c1
InChIInChI=1S/C20H18FN3O/c21-16-5-3-4-14(8-16)12-25-20-9-18(15-10-22-13-23-11-15)17-6-1-2-7-19(17)24-20/h3-5,8-11,13H,1-2,6-7,12H2
InChIKeyXNDOWJRYKLZLJT-UHFFFAOYSA-N
XLogP4.14
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methoxy]-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-[(3-fluorophenyl)methoxy]-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline (CID 73335952) is 2-[(3-fluorophenyl)methoxy]-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-[(3-fluorophenyl)methoxy]-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-[(3-fluorophenyl)methoxy]-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline is Fc1cccc(COc2cc(-c3cncnc3)c3c(n2)CCCC3)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methoxy]-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline?
The InChIKey is XNDOWJRYKLZLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-16-5-3-4-14(8-16)12-25-20-9-18(15-10-22-13-23-11-15)17-6-1-2-7-19(17)24-20/h3-5,8-11,13H,1-2,6-7,12H2.
What are the key properties of 2-[(3-fluorophenyl)methoxy]-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline?
2-[(3-fluorophenyl)methoxy]-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline has a molecular weight of 335.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methoxy]-4-pyrimidin-5-yl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 73335952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).