(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide

C25H27FN2O — CID 121333236

IUPAC(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)C2CCC(c3ccnc4ccc(F)cc34)CC2)c1
InChIInChI=1S/C25H27FN2O/c1-16-4-3-5-21(14-16)28-25(29)17(2)18-6-8-19(9-7-18)22-12-13-27-24-11-10-20(26)15-23(22)24/h3-5,10-15,17-19H,6-9H2,1-2H3,(H,28,29)/t17-,18?,19?/m1/s1
InChIKeyJDSVROJSWXKOGA-LMDPOFIKSA-N
MW390.50 g/mol
LogP6.23
Rot. Bonds4

About (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide

(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide (PubChem CID 121333236) has the molecular formula C25H27FN2O and a molecular weight of 390.50 g/mol. Its IUPAC name is (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide
PubChem CID121333236
Molecular FormulaC25H27FN2O
Molecular Weight390.50 g/mol
Exact Mass390.21
IUPAC Name(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)C2CCC(c3ccnc4ccc(F)cc34)CC2)c1
InChIInChI=1S/C25H27FN2O/c1-16-4-3-5-21(14-16)28-25(29)17(2)18-6-8-19(9-7-18)22-12-13-27-24-11-10-20(26)15-23(22)24/h3-5,10-15,17-19H,6-9H2,1-2H3,(H,28,29)/t17-,18?,19?/m1/s1
InChIKeyJDSVROJSWXKOGA-LMDPOFIKSA-N
XLogP6.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.50
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide
CID 121333237
methyl 3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoylamino]benzoate
CID 121333286
2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 121333300
(2R)-N-(3,4-dichlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;methyl 3-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]benzoate
CID 130200424
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;ethane-1,2-disulfonic acid
CID 175788062
N-(2-amino-4,5-difluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 154634623
2-[(3aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(3-chlorophenyl)propanamide
CID 155016317
(2R)-N-(2-ethoxyphenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 121333278
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]acetamide
CID 138549886
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175788054
5-chloro-2-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoylamino]benzamide
CID 166746623
N-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 129088674

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide?
The IUPAC name of (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide (CID 121333236) is (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)[C@H](C)C2CCC(c3ccnc4ccc(F)cc34)CC2)c1.
What is the InChIKey of (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide?
The InChIKey is JDSVROJSWXKOGA-LMDPOFIKSA-N. The full InChI is InChI=1S/C25H27FN2O/c1-16-4-3-5-21(14-16)28-25(29)17(2)18-6-8-19(9-7-18)22-12-13-27-24-11-10-20(26)15-23(22)24/h3-5,10-15,17-19H,6-9H2,1-2H3,(H,28,29)/t17-,18?,19?/m1/s1.
What are the key properties of (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide?
(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide has a molecular weight of 390.50 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 121333236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).