6-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile

C18H20FN3O — CID 133397912

IUPAC6-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile
SMILESCc1cc(F)cc2c(N3CCCC(C(C)O)C3)c(C#N)cnc12
InChIInChI=1S/C18H20FN3O/c1-11-6-15(19)7-16-17(11)21-9-14(8-20)18(16)22-5-3-4-13(10-22)12(2)23/h6-7,9,12-13,23H,3-5,10H2,1-2H3
InChIKeyMDIAEJRJDPVXNQ-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.15
Rot. Bonds2

About 6-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile

6-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile (PubChem CID 133397912) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 6-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile
PubChem CID133397912
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name6-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile
SMILESCc1cc(F)cc2c(N3CCCC(C(C)O)C3)c(C#N)cnc12
InChIInChI=1S/C18H20FN3O/c1-11-6-15(19)7-16-17(11)21-9-14(8-20)18(16)22-5-3-4-13(10-22)12(2)23/h6-7,9,12-13,23H,3-5,10H2,1-2H3
InChIKeyMDIAEJRJDPVXNQ-UHFFFAOYSA-N
XLogP3.15
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-Isobutyl-4-(8-quinolinylmethyl)-2-piperazinyl]ethanol
CID 16189802
2-[4-[[(6-Fluoroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol
CID 56779973
2-[1-(3-Methylbutyl)-4-(8-quinolinylmethyl)-2-piperazinyl]ethanol
CID 16188517
1-[4-[[(6-Fluoroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 53619024
1-[(5-Fluoroquinolin-8-yl)methyl]piperidin-3-ol
CID 47030241
4-(Hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol
CID 56738268
3-[(Dimethylamino)methyl]-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol
CID 56893697
(3S*,4R*)-4-(hydroxymethyl)-1-[8-(trifluoromethyl)-4-quinolinyl]-3-piperidinol
CID 56906780
2-[1-(4-Fluorobenzyl)-4-(8-quinolinylmethyl)-2-piperazinyl]ethanol
CID 45240939
[1-[(5-Fluoroquinolin-8-yl)methyl]piperidin-4-yl]methanol
CID 47053605
[1-[(6-Fluoroquinolin-8-yl)methyl]piperidin-4-yl]methanol
CID 56815163
1-[4-[(6-Fluoroquinolin-8-yl)methyl]piperazin-1-yl]butan-2-ol
CID 71875276

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile?
The IUPAC name of 6-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile (CID 133397912) is 6-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile.
What is the SMILES notation for 6-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile?
The canonical SMILES for 6-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile is Cc1cc(F)cc2c(N3CCCC(C(C)O)C3)c(C#N)cnc12.
What is the InChIKey of 6-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile?
The InChIKey is MDIAEJRJDPVXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-11-6-15(19)7-16-17(11)21-9-14(8-20)18(16)22-5-3-4-13(10-22)12(2)23/h6-7,9,12-13,23H,3-5,10H2,1-2H3.
What are the key properties of 6-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile?
6-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile has a molecular weight of 313.38 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]-8-methylquinoline-3-carbonitrile is sourced from PubChem (CID 133397912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).