N-(4-chlorophenyl)-2-[(1R,2S,4S,6R,8R)-4-(6-fluoroquinolin-4-yl)-8-tricyclo[4.3.0.02,4]nonanyl]acetamide

C26H24ClFN2O — CID 155087751

IUPACN-(4-chlorophenyl)-2-[(1R,2S,4S,6R,8R)-4-(6-fluoroquinolin-4-yl)-8-tricyclo[4.3.0.02,4]nonanyl]acetamide
SMILESO=C(C[C@@H]1C[C@@H]2C[C@@]3(c4ccnc5ccc(F)cc45)C[C@H]3[C@@H]2C1)Nc1ccc(Cl)cc1
InChIInChI=1S/C26H24ClFN2O/c27-17-1-4-19(5-2-17)30-25(31)11-15-9-16-13-26(14-23(26)20(16)10-15)22-7-8-29-24-6-3-18(28)12-21(22)24/h1-8,12,15-16,20,23H,9-11,13-14H2,(H,30,31)/t15-,16-,20-,23+,26+/m1/s1
InChIKeyKAUZNLRIEDHYIW-JKDGEMHASA-N
MW434.94 g/mol
LogP6.36
Rot. Bonds4

About N-(4-chlorophenyl)-2-[(1R,2S,4S,6R,8R)-4-(6-fluoroquinolin-4-yl)-8-tricyclo[4.3.0.02,4]nonanyl]acetamide

N-(4-chlorophenyl)-2-[(1R,2S,4S,6R,8R)-4-(6-fluoroquinolin-4-yl)-8-tricyclo[4.3.0.02,4]nonanyl]acetamide (PubChem CID 155087751) has the molecular formula C26H24ClFN2O and a molecular weight of 434.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(1R,2S,4S,6R,8R)-4-(6-fluoroquinolin-4-yl)-8-tricyclo[4.3.0.02,4]nonanyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(1R,2S,4S,6R,8R)-4-(6-fluoroquinolin-4-yl)-8-tricyclo[4.3.0.02,4]nonanyl]acetamide
PubChem CID155087751
Molecular FormulaC26H24ClFN2O
Molecular Weight434.94 g/mol
Exact Mass434.16
IUPAC NameN-(4-chlorophenyl)-2-[(1R,2S,4S,6R,8R)-4-(6-fluoroquinolin-4-yl)-8-tricyclo[4.3.0.02,4]nonanyl]acetamide
SMILESO=C(C[C@@H]1C[C@@H]2C[C@@]3(c4ccnc5ccc(F)cc45)C[C@H]3[C@@H]2C1)Nc1ccc(Cl)cc1
InChIInChI=1S/C26H24ClFN2O/c27-17-1-4-19(5-2-17)30-25(31)11-15-9-16-13-26(14-23(26)20(16)10-15)22-7-8-29-24-6-3-18(28)12-21(22)24/h1-8,12,15-16,20,23H,9-11,13-14H2,(H,30,31)/t15-,16-,20-,23+,26+/m1/s1
InChIKeyKAUZNLRIEDHYIW-JKDGEMHASA-N
XLogP6.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.94
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)acetamide
CID 155016347
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]acetamide
CID 145078404
2-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)acetamide;(2S)-2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide;(2R)-2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide;2-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide
CID 161361633
2-[(3aR,6aS)-5-quinolin-4-yloxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)acetamide
CID 155087668
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide
CID 121328261
2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)-2-methylpropanamide
CID 155087681
2-[(3aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide
CID 147503377
N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
CID 142613284
2-[(2R,3aR,6aR)-5-(3-fluoro-4-pyridinyl)-1,2,3,3a,4,6a-hexahydropentalen-2-yl]-N-(4-chlorophenyl)acetamide
CID 155087872
2-[(2S,3aR,5R,6aR)-6,6-difluoro-5-(6-fluoroquinolin-4-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-2-yl]-N-tert-butylacetamide
CID 155087973
2-[(3aS,5S,6aS)-5-(6-fluoroquinolin-4-yl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide
CID 147463331
N-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide
CID 155419801

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(1R,2S,4S,6R,8R)-4-(6-fluoroquinolin-4-yl)-8-tricyclo[4.3.0.02,4]nonanyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(1R,2S,4S,6R,8R)-4-(6-fluoroquinolin-4-yl)-8-tricyclo[4.3.0.02,4]nonanyl]acetamide (CID 155087751) is N-(4-chlorophenyl)-2-[(1R,2S,4S,6R,8R)-4-(6-fluoroquinolin-4-yl)-8-tricyclo[4.3.0.02,4]nonanyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(1R,2S,4S,6R,8R)-4-(6-fluoroquinolin-4-yl)-8-tricyclo[4.3.0.02,4]nonanyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(1R,2S,4S,6R,8R)-4-(6-fluoroquinolin-4-yl)-8-tricyclo[4.3.0.02,4]nonanyl]acetamide is O=C(C[C@@H]1C[C@@H]2C[C@@]3(c4ccnc5ccc(F)cc45)C[C@H]3[C@@H]2C1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(1R,2S,4S,6R,8R)-4-(6-fluoroquinolin-4-yl)-8-tricyclo[4.3.0.02,4]nonanyl]acetamide?
The InChIKey is KAUZNLRIEDHYIW-JKDGEMHASA-N. The full InChI is InChI=1S/C26H24ClFN2O/c27-17-1-4-19(5-2-17)30-25(31)11-15-9-16-13-26(14-23(26)20(16)10-15)22-7-8-29-24-6-3-18(28)12-21(22)24/h1-8,12,15-16,20,23H,9-11,13-14H2,(H,30,31)/t15-,16-,20-,23+,26+/m1/s1.
What are the key properties of N-(4-chlorophenyl)-2-[(1R,2S,4S,6R,8R)-4-(6-fluoroquinolin-4-yl)-8-tricyclo[4.3.0.02,4]nonanyl]acetamide?
N-(4-chlorophenyl)-2-[(1R,2S,4S,6R,8R)-4-(6-fluoroquinolin-4-yl)-8-tricyclo[4.3.0.02,4]nonanyl]acetamide has a molecular weight of 434.94 g/mol, XLogP of 6.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(1R,2S,4S,6R,8R)-4-(6-fluoroquinolin-4-yl)-8-tricyclo[4.3.0.02,4]nonanyl]acetamide is sourced from PubChem (CID 155087751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).