N-[1-[5,7-bis(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide

C45H35Cl4F9N6O2 — CID 158294418

IUPACN-[1-[5,7-bis(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccnc3c(C(F)(F)F)cccc23)CC1)c1cccc(Cl)c1Cl.O=C(NC1CCN(c2ccnc3cc(C(F)(F)F)cc(C(F)(F)F)c23)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C23H17Cl2F6N3O.C22H18Cl2F3N3O/c24-16-3-1-2-14(20(16)25)21(35)33-13-5-8-34(9-6-13)18-4-7-32-17-11-12(22(26,27)28)10-15(19(17)18)23(29,30)31;23-17-6-2-4-15(19(17)24)21(31)29-13-8-11-30(12-9-13)18-7-10-28-20-14(18)3-1-5-16(20)22(25,26)27/h1-4,7,10-11,13H,5-6,8-9H2,(H,33,35);1-7,10,13H,8-9,11-12H2,(H,29,31)
InChIKeyGLSRTXXHGXQCKB-UHFFFAOYSA-N
MW1004.61 g/mol
LogP12.94
Rot. Bonds6

About N-[1-[5,7-bis(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide

N-[1-[5,7-bis(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide (PubChem CID 158294418) has the molecular formula C45H35Cl4F9N6O2 and a molecular weight of 1004.61 g/mol. Its IUPAC name is N-[1-[5,7-bis(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[5,7-bis(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide
PubChem CID158294418
Molecular FormulaC45H35Cl4F9N6O2
Molecular Weight1004.61 g/mol
Exact Mass1002.14
IUPAC NameN-[1-[5,7-bis(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccnc3c(C(F)(F)F)cccc23)CC1)c1cccc(Cl)c1Cl.O=C(NC1CCN(c2ccnc3cc(C(F)(F)F)cc(C(F)(F)F)c23)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C23H17Cl2F6N3O.C22H18Cl2F3N3O/c24-16-3-1-2-14(20(16)25)21(35)33-13-5-8-34(9-6-13)18-4-7-32-17-11-12(22(26,27)28)10-15(19(17)18)23(29,30)31;23-17-6-2-4-15(19(17)24)21(31)29-13-8-11-30(12-9-13)18-7-10-28-20-14(18)3-1-5-16(20)22(25,26)27/h1-4,7,10-11,13H,5-6,8-9H2,(H,33,35);1-7,10,13H,8-9,11-12H2,(H,29,31)
InChIKeyGLSRTXXHGXQCKB-UHFFFAOYSA-N
XLogP12.94
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001004.61
LogP ≤ 512.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[5,7-bis(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide with MolForge

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Related Compounds

4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53308042
Quinoline-8-carboxylic acid [1''-(3,4-dichloro-benzyl)-[1,4'']bipiperidinyl-3-ylmethyl]-amide
CID 11540776
N-[[(3R,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]methyl]acetamide
CID 44389770
N-[[1-[1-[2-(3,4-dichlorophenyl)acetyl]piperidin-4-yl]piperidin-3-yl]methyl]quinoline-6-carboxamide
CID 44399290
Quinoline-4-carboxylic acid [1''-(3,4-dichloro-benzyl)-[1,4'']bipiperidinyl-3-ylmethyl]-amide
CID 44399567
N-(1-Methylpiperidin-4-yl)-4'-(2-oxo-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-1(2H)-yl)-2'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxamide
CID 53308041
N-methyl-4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 56673417
N-[(R)-(3,4-dichlorophenyl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]isoquinoline-6-carboxamide
CID 56669074
{(2R,4S)-2-(3,4-Dichloro-benzyl)-4-[(quinolin-4-ylmethyl)-amino]-piperidin-1-yl}-(3,5-dimethyl-phenyl)-methanone
CID 44334072
[4-(2,3,5,6-Tetrachloropyridin-4-yl)piperazin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
CID 20392874
[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
CID 20393867
2,3-dichloro-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide
CID 24831161

Frequently Asked Questions

What is the IUPAC name of N-[1-[5,7-bis(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[5,7-bis(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide (CID 158294418) is N-[1-[5,7-bis(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[5,7-bis(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[5,7-bis(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide is O=C(NC1CCN(c2ccnc3c(C(F)(F)F)cccc23)CC1)c1cccc(Cl)c1Cl.O=C(NC1CCN(c2ccnc3cc(C(F)(F)F)cc(C(F)(F)F)c23)CC1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[1-[5,7-bis(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide?
The InChIKey is GLSRTXXHGXQCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2F6N3O.C22H18Cl2F3N3O/c24-16-3-1-2-14(20(16)25)21(35)33-13-5-8-34(9-6-13)18-4-7-32-17-11-12(22(26,27)28)10-15(19(17)18)23(29,30)31;23-17-6-2-4-15(19(17)24)21(31)29-13-8-11-30(12-9-13)18-7-10-28-20-14(18)3-1-5-16(20)22(25,26)27/h1-4,7,10-11,13H,5-6,8-9H2,(H,33,35);1-7,10,13H,8-9,11-12H2,(H,29,31).
What are the key properties of N-[1-[5,7-bis(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide?
N-[1-[5,7-bis(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide has a molecular weight of 1004.61 g/mol, XLogP of 12.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5,7-bis(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 158294418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).