(2R,6S)-N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-6-hydroxy-2-methylnonanamide

C25H28ClFN2O2 — CID 155416456

IUPAC(2R,6S)-N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-6-hydroxy-2-methylnonanamide
SMILESCCC[C@](O)(CCC[C@@H](C)C(=O)Nc1ccc(Cl)cc1)c1ccnc2ccc(F)cc12
InChIInChI=1S/C25H28ClFN2O2/c1-3-13-25(31,22-12-15-28-23-11-8-19(27)16-21(22)23)14-4-5-17(2)24(30)29-20-9-6-18(26)7-10-20/h6-12,15-17,31H,3-5,13-14H2,1-2H3,(H,29,30)/t17-,25+/m1/s1
InChIKeyXZISYJOAHNNHTQ-NSYGIPOTSA-N
MW442.96 g/mol
LogP6.46
Rot. Bonds9

About (2R,6S)-N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-6-hydroxy-2-methylnonanamide

(2R,6S)-N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-6-hydroxy-2-methylnonanamide (PubChem CID 155416456) has the molecular formula C25H28ClFN2O2 and a molecular weight of 442.96 g/mol. Its IUPAC name is (2R,6S)-N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-6-hydroxy-2-methylnonanamide.

Molecular Properties

Compound Name(2R,6S)-N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-6-hydroxy-2-methylnonanamide
PubChem CID155416456
Molecular FormulaC25H28ClFN2O2
Molecular Weight442.96 g/mol
Exact Mass442.18
IUPAC Name(2R,6S)-N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-6-hydroxy-2-methylnonanamide
SMILESCCC[C@](O)(CCC[C@@H](C)C(=O)Nc1ccc(Cl)cc1)c1ccnc2ccc(F)cc12
InChIInChI=1S/C25H28ClFN2O2/c1-3-13-25(31,22-12-15-28-23-11-8-19(27)16-21(22)23)14-4-5-17(2)24(30)29-20-9-6-18(26)7-10-20/h6-12,15-17,31H,3-5,13-14H2,1-2H3,(H,29,30)/t17-,25+/m1/s1
InChIKeyXZISYJOAHNNHTQ-NSYGIPOTSA-N
XLogP6.46
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.96
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide
CID 137390907
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide
CID 121328340
2-[(3aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide
CID 147503377
N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 121328328
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175788054
(2R)-N-(4-chlorophenyl)-2-[(1R,4R)-4-(6-fluoroquinolin-4-yl)cyclohex-2-en-1-yl]propanamide
CID 134823837
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide
CID 121328261
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;ethane-1,2-disulfonic acid
CID 175788062
2-[(3aS,5S,6aS)-5-(6-fluoroquinolin-4-yl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide
CID 147463331
2-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)acetamide;(2S)-2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide;(2R)-2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide;2-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide
CID 161361633
2-[ethyl-[2-[(6-fluoroquinolin-4-yl)-methylamino]ethyl]amino]-N-(4-methylphenyl)propanamide
CID 166670948
2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)-2-methylpropanamide
CID 155087681

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-6-hydroxy-2-methylnonanamide?
The IUPAC name of (2R,6S)-N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-6-hydroxy-2-methylnonanamide (CID 155416456) is (2R,6S)-N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-6-hydroxy-2-methylnonanamide.
What is the SMILES notation for (2R,6S)-N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-6-hydroxy-2-methylnonanamide?
The canonical SMILES for (2R,6S)-N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-6-hydroxy-2-methylnonanamide is CCC[C@](O)(CCC[C@@H](C)C(=O)Nc1ccc(Cl)cc1)c1ccnc2ccc(F)cc12.
What is the InChIKey of (2R,6S)-N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-6-hydroxy-2-methylnonanamide?
The InChIKey is XZISYJOAHNNHTQ-NSYGIPOTSA-N. The full InChI is InChI=1S/C25H28ClFN2O2/c1-3-13-25(31,22-12-15-28-23-11-8-19(27)16-21(22)23)14-4-5-17(2)24(30)29-20-9-6-18(26)7-10-20/h6-12,15-17,31H,3-5,13-14H2,1-2H3,(H,29,30)/t17-,25+/m1/s1.
What are the key properties of (2R,6S)-N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-6-hydroxy-2-methylnonanamide?
(2R,6S)-N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-6-hydroxy-2-methylnonanamide has a molecular weight of 442.96 g/mol, XLogP of 6.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-6-hydroxy-2-methylnonanamide is sourced from PubChem (CID 155416456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).