1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one

C104H108Cl4F4N4O4 — CID 158267561

IUPAC1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one
SMILESCCC(CC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.CC[C@@H](CC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.CC[C@@H](CC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.CC[C@H](CC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/4C26H27ClFNO/c4*1-2-17(15-26(30)20-7-9-21(27)10-8-20)18-3-5-19(6-4-18)23-13-14-29-25-12-11-22(28)16-24(23)25/h4*7-14,16-19H,2-6,15H2,1H3/t3*17-,18?,19?;/m100./s1
InChIKeyGIQFMTLHFGYXJS-ZFJAPXGMSA-N
MW1695.84 g/mol
LogP30.40
Rot. Bonds24

About 1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one

1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one (PubChem CID 158267561) has the molecular formula C104H108Cl4F4N4O4 and a molecular weight of 1695.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one
PubChem CID158267561
Molecular FormulaC104H108Cl4F4N4O4
Molecular Weight1695.84 g/mol
Exact Mass1692.71
IUPAC Name1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one
SMILESCCC(CC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.CC[C@@H](CC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.CC[C@@H](CC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.CC[C@H](CC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/4C26H27ClFNO/c4*1-2-17(15-26(30)20-7-9-21(27)10-8-20)18-3-5-19(6-4-18)23-13-14-29-25-12-11-22(28)16-24(23)25/h4*7-14,16-19H,2-6,15H2,1H3/t3*17-,18?,19?;/m100./s1
InChIKeyGIQFMTLHFGYXJS-ZFJAPXGMSA-N
XLogP30.40
TPSA119.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001695.84
LogP ≤ 530.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one with MolForge

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Related Compounds

[4-[4,7-Bis(7-chloroquinolin-4-yl)-1,4,7-triazonane-1-carbonyl]phenyl]-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]methanone
CID 10629888
1-(7-Chloro-2-phenylquinolin-4-yl)-2-phenyl-2-pyridin-2-ylethanone
CID 90680442
N-[2-benzyl-1-(4-chlorobenzoyl)piperidin-4-yl]-2,2,2-trifluoro-N-(quinolin-4-ylmethyl)acetamide
CID 53692087
(2R*,4S*)-2-benzyl-1-(4-chlorobenzoyl)-N-(4-quinolylmethyl)-N-trifluoroacetyl-4-piperidinamine
CID 57304532
N-benzyl-4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide
CID 132109191
1-(4-Chlorophenyl)-2-quinolin-1-ium-1-ylethanone;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139742923
1-(4-Chlorophenyl)-4-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentane-1,3-dione
CID 141749878
(E)-1-(4-chlorophenyl)-4-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pent-1-en-3-one
CID 141749882
(3S)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]hex-5-en-1-one
CID 147263671
(3S)-1-(4-chloroquinolin-7-yl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 147747805
(3S)-3-(5-chloroquinolin-3-yl)-1-quinolin-7-yl-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 148769150
(3S)-1-(4-chloroquinolin-6-yl)-3-(3-fluoro-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 148872616

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one (CID 158267561) is 1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one is CCC(CC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.CC[C@@H](CC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.CC[C@@H](CC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.CC[C@H](CC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one?
The InChIKey is GIQFMTLHFGYXJS-ZFJAPXGMSA-N. The full InChI is InChI=1S/4C26H27ClFNO/c4*1-2-17(15-26(30)20-7-9-21(27)10-8-20)18-3-5-19(6-4-18)23-13-14-29-25-12-11-22(28)16-24(23)25/h4*7-14,16-19H,2-6,15H2,1H3/t3*17-,18?,19?;/m100./s1.
What are the key properties of 1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one?
1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one has a molecular weight of 1695.84 g/mol, XLogP of 30.40, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one is sourced from PubChem (CID 158267561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).