N-(4-chlorophenyl)-6-quinolin-4-yloxy-2-azaspiro[3.3]heptane-2-carboxamide

C22H20ClN3O2 — CID 151847321

IUPACN-(4-chlorophenyl)-6-quinolin-4-yloxy-2-azaspiro[3.3]heptane-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC2(CC(Oc3ccnc4ccccc34)C2)C1
InChIInChI=1S/C22H20ClN3O2/c23-15-5-7-16(8-6-15)25-21(27)26-13-22(14-26)11-17(12-22)28-20-9-10-24-19-4-2-1-3-18(19)20/h1-10,17H,11-14H2,(H,25,27)
InChIKeySHXWQSZRRHPDJQ-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.96
Rot. Bonds3

About N-(4-chlorophenyl)-6-quinolin-4-yloxy-2-azaspiro[3.3]heptane-2-carboxamide

N-(4-chlorophenyl)-6-quinolin-4-yloxy-2-azaspiro[3.3]heptane-2-carboxamide (PubChem CID 151847321) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-quinolin-4-yloxy-2-azaspiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-quinolin-4-yloxy-2-azaspiro[3.3]heptane-2-carboxamide
PubChem CID151847321
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC NameN-(4-chlorophenyl)-6-quinolin-4-yloxy-2-azaspiro[3.3]heptane-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC2(CC(Oc3ccnc4ccccc34)C2)C1
InChIInChI=1S/C22H20ClN3O2/c23-15-5-7-16(8-6-15)25-21(27)26-13-22(14-26)11-17(12-22)28-20-9-10-24-19-4-2-1-3-18(19)20/h1-10,17H,11-14H2,(H,25,27)
InChIKeySHXWQSZRRHPDJQ-UHFFFAOYSA-N
XLogP4.96
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3aR,6aS)-5-quinolin-4-yloxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)acetamide
CID 155087668
1-(4-chlorophenyl)-3-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]urea
CID 138559378
N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 155419805
N-(4-chlorophenyl)-3-[(3-chloro-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122248083
N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)oxy-3-azabicyclo[3.2.0]hept-1(7)-ene-3-carboxamide
CID 166682876
N-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide
CID 90636300
3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide
CID 72944084
N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122258569
1-(4-chlorophenyl)-3-[6-(6-fluoroquinolin-4-yl)oxy-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-one;N-[(4-chlorophenyl)methyl]-6-(6-fluoroquinolin-4-yl)oxy-2-azaspiro[3.3]heptane-2-carboxamide;2-(4-fluorophenyl)-1-[6-(6-fluoroquinolin-4-yl)oxy-2-azaspiro[3.3]heptan-2-yl]ethanone;1-[6-[(6-fluoroquinolin-4-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]-3-phenylpropan-1-one;1-[6-(6-fluoroquinolin-4-yl)oxy-2-azaspiro[3.3]heptan-2-yl]-3-phenylpropan-1-one
CID 163862761
(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79411419
(NZ)-N-[2-(4-chlorophenyl)-1-(6-quinolin-4-yl-2-azaspiro[3.3]heptan-2-yl)ethylidene]hydroxylamine
CID 156622336
N-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide
CID 130219664

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-quinolin-4-yloxy-2-azaspiro[3.3]heptane-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-quinolin-4-yloxy-2-azaspiro[3.3]heptane-2-carboxamide (CID 151847321) is N-(4-chlorophenyl)-6-quinolin-4-yloxy-2-azaspiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-quinolin-4-yloxy-2-azaspiro[3.3]heptane-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-quinolin-4-yloxy-2-azaspiro[3.3]heptane-2-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CC2(CC(Oc3ccnc4ccccc34)C2)C1.
What is the InChIKey of N-(4-chlorophenyl)-6-quinolin-4-yloxy-2-azaspiro[3.3]heptane-2-carboxamide?
The InChIKey is SHXWQSZRRHPDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c23-15-5-7-16(8-6-15)25-21(27)26-13-22(14-26)11-17(12-22)28-20-9-10-24-19-4-2-1-3-18(19)20/h1-10,17H,11-14H2,(H,25,27).
What are the key properties of N-(4-chlorophenyl)-6-quinolin-4-yloxy-2-azaspiro[3.3]heptane-2-carboxamide?
N-(4-chlorophenyl)-6-quinolin-4-yloxy-2-azaspiro[3.3]heptane-2-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-quinolin-4-yloxy-2-azaspiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 151847321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).