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

C107H115F8N11O8 — CID 157227617

IUPAC2-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
SMILESCCC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C2CCOC2)cc1.CCCc1ccc(Cn2ccc3cc(NC(=O)C4CC4)ccc32)cc1.CNC(=O)Nc1ccc2c(ccn2Cc2ccc(C3CCOC3)cc2)c1.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.C22H26N2O2.C22H24N2O.C21H23N3O2.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;1-2-22(25)23-20-7-8-21-18(13-20)9-11-24(21)14-16-3-5-17(6-4-16)19-10-12-26-15-19;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;1-22-21(25)23-19-6-7-20-17(12-19)8-10-24(20)13-15-2-4-16(5-3-15)18-9-11-26-14-18;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);3-8,13,19H,2,9-12,14-15H2,1H3,(H,23,25);4-7,10-14,18H,2-3,8-9,15H2,1H3,(H,23,25);2-8,10,12,18H,9,11,13-14H2,1H3,(H2,22,23,25);3-8,10,25H,1-2,9,11-12H2,(H,23,26)
InChIKeyATSIOVFJKKXHMW-UHFFFAOYSA-N
MW1835.15 g/mol
LogP22.66
Rot. Bonds24

About 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

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 (PubChem CID 157227617) has the molecular formula C107H115F8N11O8 and a molecular weight of 1835.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID157227617
Molecular FormulaC107H115F8N11O8
Molecular Weight1835.15 g/mol
Exact Mass1833.88
IUPAC Name2-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
SMILESCCC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C2CCOC2)cc1.CCCc1ccc(Cn2ccc3cc(NC(=O)C4CC4)ccc32)cc1.CNC(=O)Nc1ccc2c(ccn2Cc2ccc(C3CCOC3)cc2)c1.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.C22H26N2O2.C22H24N2O.C21H23N3O2.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;1-2-22(25)23-20-7-8-21-18(13-20)9-11-24(21)14-16-3-5-17(6-4-16)19-10-12-26-15-19;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;1-22-21(25)23-19-6-7-20-17(12-19)8-10-24(20)13-15-2-4-16(5-3-15)18-9-11-26-14-18;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);3-8,13,19H,2,9-12,14-15H2,1H3,(H,23,25);4-7,10-14,18H,2-3,8-9,15H2,1H3,(H,23,25);2-8,10,12,18H,9,11,13-14H2,1H3,(H2,22,23,25);3-8,10,25H,1-2,9,11-12H2,(H,23,26)
InChIKeyATSIOVFJKKXHMW-UHFFFAOYSA-N
XLogP22.66
TPSA215.80 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001835.15
LogP ≤ 522.66
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

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;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 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-2-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 157778070
2-hydroxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;1-methyl-3-[1-[[4-(oxolan-2-yl)phenyl]methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-2-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 159007613
N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide;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 159016114
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
1-methyl-3-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]urea;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;1-methyl-3-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]urea;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide
CID 158133072
N-[1-[[4-(1-methoxyethyl)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-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]propanamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 159057068
methyl N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]carbamate;1-methyl-3-[1-[(4-propylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide
CID 159466876
methyl N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]carbamate;methyl N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]carbamate;1-methyl-3-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]urea;N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]oxolane-3-carboxamide;N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]propanamide
CID 160144957

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;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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C2CCOC2)cc1.CCCc1ccc(Cn2ccc3cc(NC(=O)C4CC4)ccc32)cc1.CNC(=O)Nc1ccc2c(ccn2Cc2ccc(C3CCOC3)cc2)c1.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;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?
The InChIKey is ATSIOVFJKKXHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F5N2O.C22H26N2O2.C22H24N2O.C21H23N3O2.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;1-2-22(25)23-20-7-8-21-18(13-20)9-11-24(21)14-16-3-5-17(6-4-16)19-10-12-26-15-19;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;1-22-21(25)23-19-6-7-20-17(12-19)8-10-24(20)13-15-2-4-16(5-3-15)18-9-11-26-14-18;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);3-8,13,19H,2,9-12,14-15H2,1H3,(H,23,25);4-7,10-14,18H,2-3,8-9,15H2,1H3,(H,23,25);2-8,10,12,18H,9,11,13-14H2,1H3,(H2,22,23,25);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;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?
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 has a molecular weight of 1835.15 g/mol, XLogP of 22.66, 24 rotatable bonds, 7 hydrogen bond donors, and 13 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;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 is sourced from PubChem (CID 157227617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).