N-(4-cyanophenyl)-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonane-2-carboxamide

C25H23FN4O — CID 155419803

IUPACN-(4-cyanophenyl)-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonane-2-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CC3(CCN(c4ccnc5ccc(F)cc45)CC3)C2)cc1
InChIInChI=1S/C25H23FN4O/c26-19-3-6-22-21(13-19)23(7-10-28-22)30-11-8-25(9-12-30)14-18(15-25)24(31)29-20-4-1-17(16-27)2-5-20/h1-7,10,13,18H,8-9,11-12,14-15H2,(H,29,31)
InChIKeyCILOMECGMPOOMU-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.88
Rot. Bonds3

About N-(4-cyanophenyl)-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonane-2-carboxamide

N-(4-cyanophenyl)-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonane-2-carboxamide (PubChem CID 155419803) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is N-(4-cyanophenyl)-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonane-2-carboxamide
PubChem CID155419803
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC NameN-(4-cyanophenyl)-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonane-2-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CC3(CCN(c4ccnc5ccc(F)cc45)CC3)C2)cc1
InChIInChI=1S/C25H23FN4O/c26-19-3-6-22-21(13-19)23(7-10-28-22)30-11-8-25(9-12-30)14-18(15-25)24(31)29-20-4-1-17(16-27)2-5-20/h1-7,10,13,18H,8-9,11-12,14-15H2,(H,29,31)
InChIKeyCILOMECGMPOOMU-UHFFFAOYSA-N
XLogP4.88
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonane-2-carboxamide (CID 155419803) is N-(4-cyanophenyl)-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonane-2-carboxamide is N#Cc1ccc(NC(=O)C2CC3(CCN(c4ccnc5ccc(F)cc45)CC3)C2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonane-2-carboxamide?
The InChIKey is CILOMECGMPOOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c26-19-3-6-22-21(13-19)23(7-10-28-22)30-11-8-25(9-12-30)14-18(15-25)24(31)29-20-4-1-17(16-27)2-5-20/h1-7,10,13,18H,8-9,11-12,14-15H2,(H,29,31).
What are the key properties of N-(4-cyanophenyl)-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonane-2-carboxamide?
N-(4-cyanophenyl)-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonane-2-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 155419803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).