2-hydroxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide

C64H66F8N6O4 — CID 160502428

IUPAC2-hydroxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide
SMILESCCCc1ccc(Cn2ccc3cc(NC(=O)C4CC4)ccc32)cc1.O=C(CO)Nc1ccc2c(c1)CCCN2Cc1ccc(C(F)(F)F)cc1.O=C(Nc1ccc2c(c1)CCN2Cc1ccc(C(F)(F)C(F)(F)F)cc1)C1CCCC1
InChIInChI=1S/C23H23F5N2O.C22H24N2O.C19H19F3N2O2/c24-22(25,23(26,27)28)18-7-5-15(6-8-18)14-30-12-11-17-13-19(9-10-20(17)30)29-21(31)16-3-1-2-4-16;1-2-3-16-4-6-17(7-5-16)15-24-13-12-19-14-20(10-11-21(19)24)23-22(25)18-8-9-18;20-19(21,22)15-5-3-13(4-6-15)11-24-9-1-2-14-10-16(7-8-17(14)24)23-18(26)12-25/h5-10,13,16H,1-4,11-12,14H2,(H,29,31);4-7,10-14,18H,2-3,8-9,15H2,1H3,(H,23,25);3-8,10,25H,1-2,9,11-12H2,(H,23,26)
InChIKeyQRYNJWHSRLKOIR-UHFFFAOYSA-N
MW1135.25 g/mol
LogP14.61
Rot. Bonds15

About 2-hydroxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide

2-hydroxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide (PubChem CID 160502428) has the molecular formula C64H66F8N6O4 and a molecular weight of 1135.25 g/mol. Its IUPAC name is 2-hydroxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide
PubChem CID160502428
Molecular FormulaC64H66F8N6O4
Molecular Weight1135.25 g/mol
Exact Mass1134.50
IUPAC Name2-hydroxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide
SMILESCCCc1ccc(Cn2ccc3cc(NC(=O)C4CC4)ccc32)cc1.O=C(CO)Nc1ccc2c(c1)CCCN2Cc1ccc(C(F)(F)F)cc1.O=C(Nc1ccc2c(c1)CCN2Cc1ccc(C(F)(F)C(F)(F)F)cc1)C1CCCC1
InChIInChI=1S/C23H23F5N2O.C22H24N2O.C19H19F3N2O2/c24-22(25,23(26,27)28)18-7-5-15(6-8-18)14-30-12-11-17-13-19(9-10-20(17)30)29-21(31)16-3-1-2-4-16;1-2-3-16-4-6-17(7-5-16)15-24-13-12-19-14-20(10-11-21(19)24)23-22(25)18-8-9-18;20-19(21,22)15-5-3-13(4-6-15)11-24-9-1-2-14-10-16(7-8-17(14)24)23-18(26)12-25/h5-10,13,16H,1-4,11-12,14H2,(H,29,31);4-7,10-14,18H,2-3,8-9,15H2,1H3,(H,23,25);3-8,10,25H,1-2,9,11-12H2,(H,23,26)
InChIKeyQRYNJWHSRLKOIR-UHFFFAOYSA-N
XLogP14.61
TPSA118.94 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001135.25
LogP ≤ 514.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-hydroxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

2-hydroxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;1-methyl-3-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]propanamide;N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide
CID 157227617
(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-4-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-4-(trifluoromethyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;methane
CID 160824550
N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 162037699

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide?
The IUPAC name of 2-hydroxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide (CID 160502428) is 2-hydroxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for 2-hydroxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for 2-hydroxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide is CCCc1ccc(Cn2ccc3cc(NC(=O)C4CC4)ccc32)cc1.O=C(CO)Nc1ccc2c(c1)CCCN2Cc1ccc(C(F)(F)F)cc1.O=C(Nc1ccc2c(c1)CCN2Cc1ccc(C(F)(F)C(F)(F)F)cc1)C1CCCC1.
What is the InChIKey of 2-hydroxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide?
The InChIKey is QRYNJWHSRLKOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F5N2O.C22H24N2O.C19H19F3N2O2/c24-22(25,23(26,27)28)18-7-5-15(6-8-18)14-30-12-11-17-13-19(9-10-20(17)30)29-21(31)16-3-1-2-4-16;1-2-3-16-4-6-17(7-5-16)15-24-13-12-19-14-20(10-11-21(19)24)23-22(25)18-8-9-18;20-19(21,22)15-5-3-13(4-6-15)11-24-9-1-2-14-10-16(7-8-17(14)24)23-18(26)12-25/h5-10,13,16H,1-4,11-12,14H2,(H,29,31);4-7,10-14,18H,2-3,8-9,15H2,1H3,(H,23,25);3-8,10,25H,1-2,9,11-12H2,(H,23,26).
What are the key properties of 2-hydroxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide?
2-hydroxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide has a molecular weight of 1135.25 g/mol, XLogP of 14.61, 15 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]cyclopentanecarboxamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 160502428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).