N-[1-[4-(6,8-difluoroquinolin-4-yl)cyclohexyl]propyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine

C27H28F2N4O2 — CID 162647604

IUPACN-[1-[4-(6,8-difluoroquinolin-4-yl)cyclohexyl]propyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCCC(Nc1nnc(-c2ccc(OC)cc2)o1)C1CCC(c2ccnc3c(F)cc(F)cc23)CC1
InChIInChI=1S/C27H28F2N4O2/c1-3-24(31-27-33-32-26(35-27)18-8-10-20(34-2)11-9-18)17-6-4-16(5-7-17)21-12-13-30-25-22(21)14-19(28)15-23(25)29/h8-17,24H,3-7H2,1-2H3,(H,31,33)
InChIKeyUYVWUMCZRNBTEH-UHFFFAOYSA-N
MW478.54 g/mol
LogP6.74
Rot. Bonds7

About N-[1-[4-(6,8-difluoroquinolin-4-yl)cyclohexyl]propyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine

N-[1-[4-(6,8-difluoroquinolin-4-yl)cyclohexyl]propyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 162647604) has the molecular formula C27H28F2N4O2 and a molecular weight of 478.54 g/mol. Its IUPAC name is N-[1-[4-(6,8-difluoroquinolin-4-yl)cyclohexyl]propyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[1-[4-(6,8-difluoroquinolin-4-yl)cyclohexyl]propyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID162647604
Molecular FormulaC27H28F2N4O2
Molecular Weight478.54 g/mol
Exact Mass478.22
IUPAC NameN-[1-[4-(6,8-difluoroquinolin-4-yl)cyclohexyl]propyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCCC(Nc1nnc(-c2ccc(OC)cc2)o1)C1CCC(c2ccnc3c(F)cc(F)cc23)CC1
InChIInChI=1S/C27H28F2N4O2/c1-3-24(31-27-33-32-26(35-27)18-8-10-20(34-2)11-9-18)17-6-4-16(5-7-17)21-12-13-30-25-22(21)14-19(28)15-23(25)29/h8-17,24H,3-7H2,1-2H3,(H,31,33)
InChIKeyUYVWUMCZRNBTEH-UHFFFAOYSA-N
XLogP6.74
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.54
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(6,8-difluoroquinolin-4-yl)cyclohexyl]propyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[1-[4-(6,8-difluoroquinolin-4-yl)cyclohexyl]propyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine (CID 162647604) is N-[1-[4-(6,8-difluoroquinolin-4-yl)cyclohexyl]propyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[1-[4-(6,8-difluoroquinolin-4-yl)cyclohexyl]propyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[1-[4-(6,8-difluoroquinolin-4-yl)cyclohexyl]propyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine is CCC(Nc1nnc(-c2ccc(OC)cc2)o1)C1CCC(c2ccnc3c(F)cc(F)cc23)CC1.
What is the InChIKey of N-[1-[4-(6,8-difluoroquinolin-4-yl)cyclohexyl]propyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is UYVWUMCZRNBTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N4O2/c1-3-24(31-27-33-32-26(35-27)18-8-10-20(34-2)11-9-18)17-6-4-16(5-7-17)21-12-13-30-25-22(21)14-19(28)15-23(25)29/h8-17,24H,3-7H2,1-2H3,(H,31,33).
What are the key properties of N-[1-[4-(6,8-difluoroquinolin-4-yl)cyclohexyl]propyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
N-[1-[4-(6,8-difluoroquinolin-4-yl)cyclohexyl]propyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 478.54 g/mol, XLogP of 6.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(6,8-difluoroquinolin-4-yl)cyclohexyl]propyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 162647604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).