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

C38H40Cl2FN3O4 — CID 158336598

IUPAC2-(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
SMILESC.O=C(Cc1ccc(Cl)cc1)NC1[C@H]2CC(O)C[C@@H]12.O=C(Cc1ccc(Cl)cc1)NC1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12
InChIInChI=1S/C23H20ClFN2O2.C14H16ClNO2.CH4/c24-14-3-1-13(2-4-14)9-22(28)27-23-17-11-16(12-18(17)23)29-21-7-8-26-20-6-5-15(25)10-19(20)21;15-9-3-1-8(2-4-9)5-13(18)16-14-11-6-10(17)7-12(11)14;/h1-8,10,16-18,23H,9,11-12H2,(H,27,28);1-4,10-12,14,17H,5-7H2,(H,16,18);1H4/t16?,17-,18+,23?;10?,11-,12+,14?;
InChIKeyGQQSHTLUXNHPLM-PXMUYOLESA-N
MW692.66 g/mol
LogP6.95
Rot. Bonds8

About 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

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 (PubChem CID 158336598) has the molecular formula C38H40Cl2FN3O4 and a molecular weight of 692.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID158336598
Molecular FormulaC38H40Cl2FN3O4
Molecular Weight692.66 g/mol
Exact Mass691.24
IUPAC Name2-(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
SMILESC.O=C(Cc1ccc(Cl)cc1)NC1[C@H]2CC(O)C[C@@H]12.O=C(Cc1ccc(Cl)cc1)NC1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12
InChIInChI=1S/C23H20ClFN2O2.C14H16ClNO2.CH4/c24-14-3-1-13(2-4-14)9-22(28)27-23-17-11-16(12-18(17)23)29-21-7-8-26-20-6-5-15(25)10-19(20)21;15-9-3-1-8(2-4-9)5-13(18)16-14-11-6-10(17)7-12(11)14;/h1-8,10,16-18,23H,9,11-12H2,(H,27,28);1-4,10-12,14,17H,5-7H2,(H,16,18);1H4/t16?,17-,18+,23?;10?,11-,12+,14?;
InChIKeyGQQSHTLUXNHPLM-PXMUYOLESA-N
XLogP6.95
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.66
LogP ≤ 56.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

1-[(1S,3R,6R,7S)-3-(6-fluoroquinolin-4-yl)oxy-7-bicyclo[4.1.0]heptanyl]ethanone
CID 156541889
N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]butanamide
CID 153395566
6-fluoro-4-[[(1R,5S)-6-[(Z)-1-methoxyprop-1-en-2-yl]-3-bicyclo[3.1.0]hexanyl]oxy]quinoline
CID 146318432
2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)butanamide
CID 146318407
N-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide
CID 146318421
2-[(3aR,6aS)-5-quinolin-4-yloxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)acetamide
CID 155087668
N-(6-cyanopyridazin-3-yl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]butanamide
CID 146318533
2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[3-(3-methylpyrrol-1-yl)-1-bicyclo[1.1.1]pentanyl]propanamide
CID 148843944
3-(4-chlorophenyl)-1-[(3S,4S)-4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]propane-1,2-dione;3-(4-chlorophenyl)-1-[(3R,4S)-4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]propane-1,2-dione;3-(4-chlorophenyl)-1-[(3S,4R)-4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]propane-1,2-dione;3-(4-chlorophenyl)-1-[(3R,4R)-4-(6-fluoroquinolin-4-yl)-3-hydroxypiperidin-1-yl]propane-1,2-dione
CID 157102398
2-[(3aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)acetamide
CID 155016347
2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[1-(trifluoromethyl)pyrrol-3-yl]propanamide
CID 156541893
2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 146318501

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.O=C(Cc1ccc(Cl)cc1)NC1[C@H]2CC(O)C[C@@H]12.O=C(Cc1ccc(Cl)cc1)NC1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12.
What is the InChIKey of 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?
The InChIKey is GQQSHTLUXNHPLM-PXMUYOLESA-N. The full InChI is InChI=1S/C23H20ClFN2O2.C14H16ClNO2.CH4/c24-14-3-1-13(2-4-14)9-22(28)27-23-17-11-16(12-18(17)23)29-21-7-8-26-20-6-5-15(25)10-19(20)21;15-9-3-1-8(2-4-9)5-13(18)16-14-11-6-10(17)7-12(11)14;/h1-8,10,16-18,23H,9,11-12H2,(H,27,28);1-4,10-12,14,17H,5-7H2,(H,16,18);1H4/t16?,17-,18+,23?;10?,11-,12+,14?;.
What are the key properties of 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?
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 has a molecular weight of 692.66 g/mol, XLogP of 6.95, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158336598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).