N-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide

C25H31FN2O — CID 129088674

IUPACN-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
SMILESCC(C(=O)N[C@H]1CC2CCC1C2)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H31FN2O/c1-15(25(29)28-24-13-16-2-3-19(24)12-16)17-4-6-18(7-5-17)21-10-11-27-23-9-8-20(26)14-22(21)23/h8-11,14-19,24H,2-7,12-13H2,1H3,(H,28,29)/t15?,16?,17?,18?,19?,24-/m0/s1
InChIKeyMGJMQZLURKIHHG-FZCQFMHVSA-N
MW394.53 g/mol
LogP5.59
Rot. Bonds4

About N-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide

N-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (PubChem CID 129088674) has the molecular formula C25H31FN2O and a molecular weight of 394.53 g/mol. Its IUPAC name is N-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.

Molecular Properties

Compound NameN-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
PubChem CID129088674
Molecular FormulaC25H31FN2O
Molecular Weight394.53 g/mol
Exact Mass394.24
IUPAC NameN-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
SMILESCC(C(=O)N[C@H]1CC2CCC1C2)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H31FN2O/c1-15(25(29)28-24-13-16-2-3-19(24)12-16)17-4-6-18(7-5-17)21-10-11-27-23-9-8-20(26)14-22(21)23/h8-11,14-19,24H,2-7,12-13H2,1H3,(H,28,29)/t15?,16?,17?,18?,19?,24-/m0/s1
InChIKeyMGJMQZLURKIHHG-FZCQFMHVSA-N
XLogP5.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.53
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide
CID 162465060
(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide
CID 121333236
N-(2-amino-4,5-difluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 154634623
2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide
CID 121333237
(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide
CID 138608756
(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)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide
CID 142752025
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;ethane-1,2-disulfonic acid
CID 175788062
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
N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide
CID 142556941

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The IUPAC name of N-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (CID 129088674) is N-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.
What is the SMILES notation for N-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The canonical SMILES for N-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is CC(C(=O)N[C@H]1CC2CCC1C2)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The InChIKey is MGJMQZLURKIHHG-FZCQFMHVSA-N. The full InChI is InChI=1S/C25H31FN2O/c1-15(25(29)28-24-13-16-2-3-19(24)12-16)17-4-6-18(7-5-17)21-10-11-27-23-9-8-20(26)14-22(21)23/h8-11,14-19,24H,2-7,12-13H2,1H3,(H,28,29)/t15?,16?,17?,18?,19?,24-/m0/s1.
What are the key properties of N-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
N-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide has a molecular weight of 394.53 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is sourced from PubChem (CID 129088674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).