N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide

C26H28ClFN2O — CID 137390907

IUPACN-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide
SMILESCCCC(C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C26H28ClFN2O/c1-2-3-23(26(31)30-21-11-8-19(27)9-12-21)18-6-4-17(5-7-18)22-14-15-29-25-13-10-20(28)16-24(22)25/h8-18,23H,2-7H2,1H3,(H,30,31)
InChIKeyKBSPKQRMQGYZDW-UHFFFAOYSA-N
MW438.97 g/mol
LogP7.36
Rot. Bonds6

About N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide

N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide (PubChem CID 137390907) has the molecular formula C26H28ClFN2O and a molecular weight of 438.97 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide
PubChem CID137390907
Molecular FormulaC26H28ClFN2O
Molecular Weight438.97 g/mol
Exact Mass438.19
IUPAC NameN-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide
SMILESCCCC(C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C26H28ClFN2O/c1-2-3-23(26(31)30-21-11-8-19(27)9-12-21)18-6-4-17(5-7-18)22-14-15-29-25-13-10-20(28)16-24(22)25/h8-18,23H,2-7H2,1H3,(H,30,31)
InChIKeyKBSPKQRMQGYZDW-UHFFFAOYSA-N
XLogP7.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.97
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide (CID 137390907) is N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide is CCCC(C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide?
The InChIKey is KBSPKQRMQGYZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClFN2O/c1-2-3-23(26(31)30-21-11-8-19(27)9-12-21)18-6-4-17(5-7-18)22-14-15-29-25-13-10-20(28)16-24(22)25/h8-18,23H,2-7H2,1H3,(H,30,31).
What are the key properties of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide?
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide has a molecular weight of 438.97 g/mol, XLogP of 7.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide is sourced from PubChem (CID 137390907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).