[(4aR,8aR)-4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;(4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[2-propan-2-yl-3-(2,2,2-trifluoroethylamino)phenyl]methanone

C43H56F6N4O2 — CID 143724749

IUPAC[(4aR,8aR)-4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;(4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[2-propan-2-yl-3-(2,2,2-trifluoroethylamino)phenyl]methanone
SMILESCC(C)c1c(NCC(F)(F)F)cccc1C(=O)N1CCC(C2CC2)C2CCCCC21.O=C(c1ccc(C(F)(F)F)nc1)N1CCC(C2CC2)[C@H]2CCCC[C@H]21
InChIInChI=1S/C24H33F3N2O.C19H23F3N2O/c1-15(2)22-19(7-5-8-20(22)28-14-24(25,26)27)23(30)29-13-12-17(16-10-11-16)18-6-3-4-9-21(18)29;20-19(21,22)17-8-7-13(11-23-17)18(25)24-10-9-14(12-5-6-12)15-3-1-2-4-16(15)24/h5,7-8,15-18,21,28H,3-4,6,9-14H2,1-2H3;7-8,11-12,14-16H,1-6,9-10H2/t;14?,15-,16-/m.1/s1
InChIKeyBOGUQGFTPFQMCN-QGSBIAQUSA-N
MW774.94 g/mol
LogP10.75
Rot. Bonds7

About [(4aR,8aR)-4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;(4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[2-propan-2-yl-3-(2,2,2-trifluoroethylamino)phenyl]methanone

[(4aR,8aR)-4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;(4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[2-propan-2-yl-3-(2,2,2-trifluoroethylamino)phenyl]methanone (PubChem CID 143724749) has the molecular formula C43H56F6N4O2 and a molecular weight of 774.94 g/mol. Its IUPAC name is [(4aR,8aR)-4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;(4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[2-propan-2-yl-3-(2,2,2-trifluoroethylamino)phenyl]methanone.

Molecular Properties

Compound Name[(4aR,8aR)-4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;(4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[2-propan-2-yl-3-(2,2,2-trifluoroethylamino)phenyl]methanone
PubChem CID143724749
Molecular FormulaC43H56F6N4O2
Molecular Weight774.94 g/mol
Exact Mass774.43
IUPAC Name[(4aR,8aR)-4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;(4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[2-propan-2-yl-3-(2,2,2-trifluoroethylamino)phenyl]methanone
SMILESCC(C)c1c(NCC(F)(F)F)cccc1C(=O)N1CCC(C2CC2)C2CCCCC21.O=C(c1ccc(C(F)(F)F)nc1)N1CCC(C2CC2)[C@H]2CCCC[C@H]21
InChIInChI=1S/C24H33F3N2O.C19H23F3N2O/c1-15(2)22-19(7-5-8-20(22)28-14-24(25,26)27)23(30)29-13-12-17(16-10-11-16)18-6-3-4-9-21(18)29;20-19(21,22)17-8-7-13(11-23-17)18(25)24-10-9-14(12-5-6-12)15-3-1-2-4-16(15)24/h5,7-8,15-18,21,28H,3-4,6,9-14H2,1-2H3;7-8,11-12,14-16H,1-6,9-10H2/t;14?,15-,16-/m.1/s1
InChIKeyBOGUQGFTPFQMCN-QGSBIAQUSA-N
XLogP10.75
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.94
LogP ≤ 510.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(4aR,8aR)-4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;(4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[2-propan-2-yl-3-(2,2,2-trifluoroethylamino)phenyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

Sj-733
CID 89508529
XR-9577
CID 15950351
N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53492818
N-cyclopropyl-3-[3-[4-(isoquinolin-4-ylamino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53492943
N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-4-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53492946
N-[3-(dimethylamino)propyl]-3-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53492947
N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]quinoline-3-carboxamide
CID 86280005
1-oxo-2-(quinolin-4-ylmethyl)-N-(3-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 24959937
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
4-(isoquinolin-5-ylamino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53494665
(3R,4R)-N-(3-cyano-4-fluorophenyl)-1-oxo-3-(pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 71276330
(3S,4S)-N-(3-cyano-4-fluorophenyl)-2-(cyclopropylmethyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 89508600

Frequently Asked Questions

What is the IUPAC name of [(4aR,8aR)-4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;(4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[2-propan-2-yl-3-(2,2,2-trifluoroethylamino)phenyl]methanone?
The IUPAC name of [(4aR,8aR)-4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;(4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[2-propan-2-yl-3-(2,2,2-trifluoroethylamino)phenyl]methanone (CID 143724749) is [(4aR,8aR)-4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;(4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[2-propan-2-yl-3-(2,2,2-trifluoroethylamino)phenyl]methanone.
What is the SMILES notation for [(4aR,8aR)-4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;(4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[2-propan-2-yl-3-(2,2,2-trifluoroethylamino)phenyl]methanone?
The canonical SMILES for [(4aR,8aR)-4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;(4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[2-propan-2-yl-3-(2,2,2-trifluoroethylamino)phenyl]methanone is CC(C)c1c(NCC(F)(F)F)cccc1C(=O)N1CCC(C2CC2)C2CCCCC21.O=C(c1ccc(C(F)(F)F)nc1)N1CCC(C2CC2)[C@H]2CCCC[C@H]21.
What is the InChIKey of [(4aR,8aR)-4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;(4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[2-propan-2-yl-3-(2,2,2-trifluoroethylamino)phenyl]methanone?
The InChIKey is BOGUQGFTPFQMCN-QGSBIAQUSA-N. The full InChI is InChI=1S/C24H33F3N2O.C19H23F3N2O/c1-15(2)22-19(7-5-8-20(22)28-14-24(25,26)27)23(30)29-13-12-17(16-10-11-16)18-6-3-4-9-21(18)29;20-19(21,22)17-8-7-13(11-23-17)18(25)24-10-9-14(12-5-6-12)15-3-1-2-4-16(15)24/h5,7-8,15-18,21,28H,3-4,6,9-14H2,1-2H3;7-8,11-12,14-16H,1-6,9-10H2/t;14?,15-,16-/m.1/s1.
What are the key properties of [(4aR,8aR)-4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;(4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[2-propan-2-yl-3-(2,2,2-trifluoroethylamino)phenyl]methanone?
[(4aR,8aR)-4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;(4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[2-propan-2-yl-3-(2,2,2-trifluoroethylamino)phenyl]methanone has a molecular weight of 774.94 g/mol, XLogP of 10.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8aR)-4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;(4-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[2-propan-2-yl-3-(2,2,2-trifluoroethylamino)phenyl]methanone is sourced from PubChem (CID 143724749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).