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

C117H108Cl2F6N12O9 — CID 163862761

IUPAC1-(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
SMILESCC(C(=O)Cc1ccc(Cl)cc1)N1CC2C(C1)C2Oc1ccnc2ccc(F)cc12.O=C(CCc1ccccc1)N1CC2(CC(Oc3ccnc4ccc(F)cc34)C2)C1.O=C(CCc1ccccc1)N1CC2C(C1)C2Nc1ccnc2ccc(F)cc12.O=C(Cc1ccc(F)cc1)N1CC2(CC(Oc3ccnc4ccc(F)cc34)C2)C1.O=C(NCc1ccc(Cl)cc1)N1CC2(CC(Oc3ccnc4ccc(F)cc34)C2)C1
InChIInChI=1S/C24H22ClFN2O2.C24H23FN2O2.C23H21ClFN3O2.C23H20F2N2O2.C23H22FN3O/c1-14(22(29)10-15-2-4-16(25)5-3-15)28-12-19-20(13-28)24(19)30-23-8-9-27-21-7-6-17(26)11-18(21)23;25-18-7-8-21-20(12-18)22(10-11-26-21)29-19-13-24(14-19)15-27(16-24)23(28)9-6-17-4-2-1-3-5-17;24-16-3-1-15(2-4-16)12-27-22(29)28-13-23(14-28)10-18(11-23)30-21-7-8-26-20-6-5-17(25)9-19(20)21;24-16-3-1-15(2-4-16)9-22(28)27-13-23(14-27)11-18(12-23)29-21-7-8-26-20-6-5-17(25)10-19(20)21;24-16-7-8-20-17(12-16)21(10-11-25-20)26-23-18-13-27(14-19(18)23)22(28)9-6-15-4-2-1-3-5-15/h2-9,11,14,19-20,24H,10,12-13H2,1H3;1-5,7-8,10-12,19H,6,9,13-16H2;1-9,18H,10-14H2,(H,27,29);1-8,10,18H,9,11-14H2;1-5,7-8,10-12,18-19,23H,6,9,13-14H2,(H,25,26)
InChIKeyPDZMIBGAGOOBFZ-UHFFFAOYSA-N
MW2011.12 g/mol
LogP21.69
Rot. Bonds24

About 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

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 (PubChem CID 163862761) has the molecular formula C117H108Cl2F6N12O9 and a molecular weight of 2011.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID163862761
Molecular FormulaC117H108Cl2F6N12O9
Molecular Weight2011.12 g/mol
Exact Mass2008.76
IUPAC Name1-(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
SMILESCC(C(=O)Cc1ccc(Cl)cc1)N1CC2C(C1)C2Oc1ccnc2ccc(F)cc12.O=C(CCc1ccccc1)N1CC2(CC(Oc3ccnc4ccc(F)cc34)C2)C1.O=C(CCc1ccccc1)N1CC2C(C1)C2Nc1ccnc2ccc(F)cc12.O=C(Cc1ccc(F)cc1)N1CC2(CC(Oc3ccnc4ccc(F)cc34)C2)C1.O=C(NCc1ccc(Cl)cc1)N1CC2(CC(Oc3ccnc4ccc(F)cc34)C2)C1
InChIInChI=1S/C24H22ClFN2O2.C24H23FN2O2.C23H21ClFN3O2.C23H20F2N2O2.C23H22FN3O/c1-14(22(29)10-15-2-4-16(25)5-3-15)28-12-19-20(13-28)24(19)30-23-8-9-27-21-7-6-17(26)11-18(21)23;25-18-7-8-21-20(12-18)22(10-11-26-21)29-19-13-24(14-19)15-27(16-24)23(28)9-6-17-4-2-1-3-5-17;24-16-3-1-15(2-4-16)12-27-22(29)28-13-23(14-28)10-18(11-23)30-21-7-8-26-20-6-5-17(25)9-19(20)21;24-16-3-1-15(2-4-16)9-22(28)27-13-23(14-27)11-18(12-23)29-21-7-8-26-20-6-5-17(25)10-19(20)21;24-16-7-8-20-17(12-16)21(10-11-25-20)26-23-18-13-27(14-19(18)23)22(28)9-6-15-4-2-1-3-5-15/h2-9,11,14,19-20,24H,10,12-13H2,1H3;1-5,7-8,10-12,19H,6,9,13-16H2;1-9,18H,10-14H2,(H,27,29);1-8,10,18H,9,11-14H2;1-5,7-8,10-12,18-19,23H,6,9,13-14H2,(H,25,26)
InChIKeyPDZMIBGAGOOBFZ-UHFFFAOYSA-N
XLogP21.69
TPSA226.98 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002011.12
LogP ≤ 521.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-[(6-fluoroquinolin-4-yl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(3-methoxyphenyl)butan-2-one
CID 163601800
1-[6-(6-fluoroquinolin-4-yl)oxy-2-azaspiro[3.3]heptan-2-yl]-2-[4-[(E)-3-methoxyprop-1-enyl]phenyl]ethanone
CID 163854944
2-(4-chlorophenyl)-N-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]acetamide;2-(4-chlorophenyl)-N-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]acetamide;methane
CID 158336598
N-(4-chlorophenyl)-6-quinolin-4-yloxy-2-azaspiro[3.3]heptane-2-carboxamide
CID 151847321
2-[5-[(6-fluoroquinolin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanoic acid
CID 152583849
N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]butanamide
CID 153395566
3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 119100545
2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]-N-(5-methyl-2-pyridinyl)propanamide
CID 153395535
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 110604596
3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-fluorophenyl)methyl]azetidine-1-carboxamide
CID 122248512
2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)butanamide
CID 146318407
3-[(3-chloro-2-pyridinyl)oxy]-N-[(4-fluorophenyl)methyl]azetidine-1-carboxamide
CID 122248114

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C(=O)Cc1ccc(Cl)cc1)N1CC2C(C1)C2Oc1ccnc2ccc(F)cc12.O=C(CCc1ccccc1)N1CC2(CC(Oc3ccnc4ccc(F)cc34)C2)C1.O=C(CCc1ccccc1)N1CC2C(C1)C2Nc1ccnc2ccc(F)cc12.O=C(Cc1ccc(F)cc1)N1CC2(CC(Oc3ccnc4ccc(F)cc34)C2)C1.O=C(NCc1ccc(Cl)cc1)N1CC2(CC(Oc3ccnc4ccc(F)cc34)C2)C1.
What is the InChIKey of 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?
The InChIKey is PDZMIBGAGOOBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN2O2.C24H23FN2O2.C23H21ClFN3O2.C23H20F2N2O2.C23H22FN3O/c1-14(22(29)10-15-2-4-16(25)5-3-15)28-12-19-20(13-28)24(19)30-23-8-9-27-21-7-6-17(26)11-18(21)23;25-18-7-8-21-20(12-18)22(10-11-26-21)29-19-13-24(14-19)15-27(16-24)23(28)9-6-17-4-2-1-3-5-17;24-16-3-1-15(2-4-16)12-27-22(29)28-13-23(14-28)10-18(11-23)30-21-7-8-26-20-6-5-17(25)9-19(20)21;24-16-3-1-15(2-4-16)9-22(28)27-13-23(14-27)11-18(12-23)29-21-7-8-26-20-6-5-17(25)10-19(20)21;24-16-7-8-20-17(12-16)21(10-11-25-20)26-23-18-13-27(14-19(18)23)22(28)9-6-15-4-2-1-3-5-15/h2-9,11,14,19-20,24H,10,12-13H2,1H3;1-5,7-8,10-12,19H,6,9,13-16H2;1-9,18H,10-14H2,(H,27,29);1-8,10,18H,9,11-14H2;1-5,7-8,10-12,18-19,23H,6,9,13-14H2,(H,25,26).
What are the key properties of 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?
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 has a molecular weight of 2011.12 g/mol, XLogP of 21.69, 24 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163862761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).