4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-2-yloxyethyl)quinoline;1-[4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinolin-3-yl]ethanol

C51H53F2N5O2 — CID 158212200

IUPAC4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-2-yloxyethyl)quinoline;1-[4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinolin-3-yl]ethanol
SMILESCc1nc2ccc(N3CCCCC3)cc2c(-c2ccc(F)cc2)c1C(C)O.Cc1nc2ccc(N3CCCCC3)cc2c(-c2ccc(F)cc2)c1C(C)Oc1ccccn1
InChIInChI=1S/C28H28FN3O.C23H25FN2O/c1-19-27(20(2)33-26-8-4-5-15-30-26)28(21-9-11-22(29)12-10-21)24-18-23(13-14-25(24)31-19)32-16-6-3-7-17-32;1-15-22(16(2)27)23(17-6-8-18(24)9-7-17)20-14-19(10-11-21(20)25-15)26-12-4-3-5-13-26/h4-5,8-15,18,20H,3,6-7,16-17H2,1-2H3;6-11,14,16,27H,3-5,12-13H2,1-2H3
InChIKeyGCFFVKBLFJMBRR-UHFFFAOYSA-N
MW806.01 g/mol
LogP12.27
Rot. Bonds8

About 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-2-yloxyethyl)quinoline;1-[4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinolin-3-yl]ethanol

4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-2-yloxyethyl)quinoline;1-[4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinolin-3-yl]ethanol (PubChem CID 158212200) has the molecular formula C51H53F2N5O2 and a molecular weight of 806.01 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-2-yloxyethyl)quinoline;1-[4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinolin-3-yl]ethanol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-2-yloxyethyl)quinoline;1-[4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinolin-3-yl]ethanol
PubChem CID158212200
Molecular FormulaC51H53F2N5O2
Molecular Weight806.01 g/mol
Exact Mass805.42
IUPAC Name4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-2-yloxyethyl)quinoline;1-[4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinolin-3-yl]ethanol
SMILESCc1nc2ccc(N3CCCCC3)cc2c(-c2ccc(F)cc2)c1C(C)O.Cc1nc2ccc(N3CCCCC3)cc2c(-c2ccc(F)cc2)c1C(C)Oc1ccccn1
InChIInChI=1S/C28H28FN3O.C23H25FN2O/c1-19-27(20(2)33-26-8-4-5-15-30-26)28(21-9-11-22(29)12-10-21)24-18-23(13-14-25(24)31-19)32-16-6-3-7-17-32;1-15-22(16(2)27)23(17-6-8-18(24)9-7-17)20-14-19(10-11-21(20)25-15)26-12-4-3-5-13-26/h4-5,8-15,18,20H,3,6-7,16-17H2,1-2H3;6-11,14,16,27H,3-5,12-13H2,1-2H3
InChIKeyGCFFVKBLFJMBRR-UHFFFAOYSA-N
XLogP12.27
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.01
LogP ≤ 512.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-2-yloxyethyl)quinoline;1-[4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinolin-3-yl]ethanol?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-2-yloxyethyl)quinoline;1-[4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinolin-3-yl]ethanol (CID 158212200) is 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-2-yloxyethyl)quinoline;1-[4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinolin-3-yl]ethanol.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-2-yloxyethyl)quinoline;1-[4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinolin-3-yl]ethanol?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-2-yloxyethyl)quinoline;1-[4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinolin-3-yl]ethanol is Cc1nc2ccc(N3CCCCC3)cc2c(-c2ccc(F)cc2)c1C(C)O.Cc1nc2ccc(N3CCCCC3)cc2c(-c2ccc(F)cc2)c1C(C)Oc1ccccn1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-2-yloxyethyl)quinoline;1-[4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinolin-3-yl]ethanol?
The InChIKey is GCFFVKBLFJMBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O.C23H25FN2O/c1-19-27(20(2)33-26-8-4-5-15-30-26)28(21-9-11-22(29)12-10-21)24-18-23(13-14-25(24)31-19)32-16-6-3-7-17-32;1-15-22(16(2)27)23(17-6-8-18(24)9-7-17)20-14-19(10-11-21(20)25-15)26-12-4-3-5-13-26/h4-5,8-15,18,20H,3,6-7,16-17H2,1-2H3;6-11,14,16,27H,3-5,12-13H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-2-yloxyethyl)quinoline;1-[4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinolin-3-yl]ethanol?
4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-2-yloxyethyl)quinoline;1-[4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinolin-3-yl]ethanol has a molecular weight of 806.01 g/mol, XLogP of 12.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-yl-3-(1-pyridin-2-yloxyethyl)quinoline;1-[4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinolin-3-yl]ethanol is sourced from PubChem (CID 158212200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).