4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-3-yloxyethyl)quinoline

C28H28FN3O — CID 25254309

IUPAC4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-3-yloxyethyl)quinoline
SMILESCc1nc2ccc(N3CCCCC3)cc2c(-c2ccc(F)cc2)c1C(C)Oc1cccnc1
InChIInChI=1S/C28H28FN3O/c1-19-27(20(2)33-24-7-6-14-30-18-24)28(21-8-10-22(29)11-9-21)25-17-23(12-13-26(25)31-19)32-15-4-3-5-16-32/h6-14,17-18,20H,3-5,15-16H2,1-2H3
InChIKeyVGVNGBKMAHEQHB-UHFFFAOYSA-N
MW441.55 g/mol
LogP6.87
Rot. Bonds5

About 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-3-yloxyethyl)quinoline

4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-3-yloxyethyl)quinoline (PubChem CID 25254309) has the molecular formula C28H28FN3O and a molecular weight of 441.55 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-3-yloxyethyl)quinoline.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-3-yloxyethyl)quinoline
PubChem CID25254309
Molecular FormulaC28H28FN3O
Molecular Weight441.55 g/mol
Exact Mass441.22
IUPAC Name4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-3-yloxyethyl)quinoline
SMILESCc1nc2ccc(N3CCCCC3)cc2c(-c2ccc(F)cc2)c1C(C)Oc1cccnc1
InChIInChI=1S/C28H28FN3O/c1-19-27(20(2)33-24-7-6-14-30-18-24)28(21-8-10-22(29)11-9-21)25-17-23(12-13-26(25)31-19)32-15-4-3-5-16-32/h6-14,17-18,20H,3-5,15-16H2,1-2H3
InChIKeyVGVNGBKMAHEQHB-UHFFFAOYSA-N
XLogP6.87
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.55
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-3-yloxyethyl)quinoline?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-3-yloxyethyl)quinoline (CID 25254309) is 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-3-yloxyethyl)quinoline.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-3-yloxyethyl)quinoline?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-3-yloxyethyl)quinoline is Cc1nc2ccc(N3CCCCC3)cc2c(-c2ccc(F)cc2)c1C(C)Oc1cccnc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-3-yloxyethyl)quinoline?
The InChIKey is VGVNGBKMAHEQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O/c1-19-27(20(2)33-24-7-6-14-30-18-24)28(21-8-10-22(29)11-9-21)25-17-23(12-13-26(25)31-19)32-15-4-3-5-16-32/h6-14,17-18,20H,3-5,15-16H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-3-yloxyethyl)quinoline?
4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-3-yloxyethyl)quinoline has a molecular weight of 441.55 g/mol, XLogP of 6.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-3-yloxyethyl)quinoline is sourced from PubChem (CID 25254309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).