N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide

C23H22ClFN4O — CID 155419805

IUPACN-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC2(CCN(c3ccnc4ccc(F)cc34)CC2)C1
InChIInChI=1S/C23H22ClFN4O/c24-16-1-4-18(5-2-16)27-22(30)29-14-23(15-29)8-11-28(12-9-23)21-7-10-26-20-6-3-17(25)13-19(20)21/h1-7,10,13H,8-9,11-12,14-15H2,(H,27,30)
InChIKeyRUGZWNSSXNXLOT-UHFFFAOYSA-N
MW424.91 g/mol
LogP5.16
Rot. Bonds2

About N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide

N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide (PubChem CID 155419805) has the molecular formula C23H22ClFN4O and a molecular weight of 424.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
PubChem CID155419805
Molecular FormulaC23H22ClFN4O
Molecular Weight424.91 g/mol
Exact Mass424.15
IUPAC NameN-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC2(CCN(c3ccnc4ccc(F)cc34)CC2)C1
InChIInChI=1S/C23H22ClFN4O/c24-16-1-4-18(5-2-16)27-22(30)29-14-23(15-29)8-11-28(12-9-23)21-7-10-26-20-6-3-17(25)13-19(20)21/h1-7,10,13H,8-9,11-12,14-15H2,(H,27,30)
InChIKeyRUGZWNSSXNXLOT-UHFFFAOYSA-N
XLogP5.16
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.91
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-fluoroquinolin-4-yl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 139429296
N-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide
CID 155419801
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide
CID 121328340
7-(6-fluoroquinolin-4-yl)-N-(4-methylphenyl)-2-azaspiro[3.5]nonane-2-carboxamide
CID 155419707
N-(4-cyanophenyl)-7-(6-fluoroquinolin-4-yl)-7-azaspiro[3.5]nonane-2-carboxamide
CID 155419803
4-chloro-N-[3-[2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonan-7-yl]pent-1-en-2-yl]aniline
CID 160704771
N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
CID 142613284
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)oxy-3-azabicyclo[3.2.0]hept-1(7)-ene-3-carboxamide
CID 166682876
1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 121318776
4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 21101797
N-(4-chlorophenyl)-6-quinolin-4-yloxy-2-azaspiro[3.3]heptane-2-carboxamide
CID 151847321

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide (CID 155419805) is N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CC2(CCN(c3ccnc4ccc(F)cc34)CC2)C1.
What is the InChIKey of N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is RUGZWNSSXNXLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O/c24-16-1-4-18(5-2-16)27-22(30)29-14-23(15-29)8-11-28(12-9-23)21-7-10-26-20-6-3-17(25)13-19(20)21/h1-7,10,13H,8-9,11-12,14-15H2,(H,27,30).
What are the key properties of N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 424.91 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 155419805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).