1-(benzylamino)-3-isoquinolin-6-ylpropan-2-one;1-(cyclohexylamino)-3-naphthalen-2-ylpropan-2-one;1-[(3-fluorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one;1-isoquinolin-6-yl-3-[(3-methoxyphenyl)methylamino]propan-2-one;[3-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;[4-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;1-isoquinolin-6-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-one

C139H135F4N13O13 — CID 159990575

IUPAC1-(benzylamino)-3-isoquinolin-6-ylpropan-2-one;1-(cyclohexylamino)-3-naphthalen-2-ylpropan-2-one;1-[(3-fluorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one;1-isoquinolin-6-yl-3-[(3-methoxyphenyl)methylamino]propan-2-one;[3-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;[4-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;1-isoquinolin-6-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-one
SMILESCC(=O)Oc1ccc(CNCC(=O)Cc2ccc3cnccc3c2)cc1.CC(=O)Oc1cccc(CNCC(=O)Cc2ccc3cnccc3c2)c1.COc1cccc(CNCC(=O)Cc2ccc3cnccc3c2)c1.O=C(CNC1CCCCC1)Cc1ccc2ccccc2c1.O=C(CNCc1cccc(F)c1)Cc1ccc2cnccc2c1.O=C(CNCc1cccc(OC(F)(F)F)c1)Cc1ccc2cnccc2c1.O=C(CNCc1ccccc1)Cc1ccc2cnccc2c1
InChIInChI=1S/2C21H20N2O3.C20H17F3N2O2.C20H20N2O2.C19H17FN2O.C19H18N2O.C19H23NO/c1-15(24)26-21-6-3-16(4-7-21)12-23-14-20(25)11-17-2-5-19-13-22-9-8-18(19)10-17;1-15(24)26-21-4-2-3-17(11-21)12-23-14-20(25)10-16-5-6-19-13-22-8-7-18(19)9-16;21-20(22,23)27-19-3-1-2-15(10-19)11-25-13-18(26)9-14-4-5-17-12-24-7-6-16(17)8-14;1-24-20-4-2-3-16(11-20)12-22-14-19(23)10-15-5-6-18-13-21-8-7-17(18)9-15;20-18-3-1-2-15(9-18)11-22-13-19(23)10-14-4-5-17-12-21-7-6-16(17)8-14;22-19(14-21-12-15-4-2-1-3-5-15)11-16-6-7-18-13-20-9-8-17(18)10-16;21-19(14-20-18-8-2-1-3-9-18)13-15-10-11-16-6-4-5-7-17(16)12-15/h2-10,13,23H,11-12,14H2,1H3;2-9,11,13,23H,10,12,14H2,1H3;1-8,10,12,25H,9,11,13H2;2-9,11,13,22H,10,12,14H2,1H3;1-9,12,22H,10-11,13H2;1-10,13,21H,11-12,14H2;4-7,10-12,18,20H,1-3,8-9,13-14H2
InChIKeyOGWYEGLZQFLPSI-UHFFFAOYSA-N
MW2271.68 g/mol
LogP23.59
Rot. Bonds45

About 1-(benzylamino)-3-isoquinolin-6-ylpropan-2-one;1-(cyclohexylamino)-3-naphthalen-2-ylpropan-2-one;1-[(3-fluorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one;1-isoquinolin-6-yl-3-[(3-methoxyphenyl)methylamino]propan-2-one;[3-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;[4-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;1-isoquinolin-6-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-one

1-(benzylamino)-3-isoquinolin-6-ylpropan-2-one;1-(cyclohexylamino)-3-naphthalen-2-ylpropan-2-one;1-[(3-fluorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one;1-isoquinolin-6-yl-3-[(3-methoxyphenyl)methylamino]propan-2-one;[3-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;[4-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;1-isoquinolin-6-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-one (PubChem CID 159990575) has the molecular formula C139H135F4N13O13 and a molecular weight of 2271.68 g/mol. Its IUPAC name is 1-(benzylamino)-3-isoquinolin-6-ylpropan-2-one;1-(cyclohexylamino)-3-naphthalen-2-ylpropan-2-one;1-[(3-fluorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one;1-isoquinolin-6-yl-3-[(3-methoxyphenyl)methylamino]propan-2-one;[3-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;[4-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;1-isoquinolin-6-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-one.

Molecular Properties

Compound Name1-(benzylamino)-3-isoquinolin-6-ylpropan-2-one;1-(cyclohexylamino)-3-naphthalen-2-ylpropan-2-one;1-[(3-fluorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one;1-isoquinolin-6-yl-3-[(3-methoxyphenyl)methylamino]propan-2-one;[3-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;[4-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;1-isoquinolin-6-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-one
PubChem CID159990575
Molecular FormulaC139H135F4N13O13
Molecular Weight2271.68 g/mol
Exact Mass2270.02
IUPAC Name1-(benzylamino)-3-isoquinolin-6-ylpropan-2-one;1-(cyclohexylamino)-3-naphthalen-2-ylpropan-2-one;1-[(3-fluorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one;1-isoquinolin-6-yl-3-[(3-methoxyphenyl)methylamino]propan-2-one;[3-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;[4-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;1-isoquinolin-6-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-one
SMILESCC(=O)Oc1ccc(CNCC(=O)Cc2ccc3cnccc3c2)cc1.CC(=O)Oc1cccc(CNCC(=O)Cc2ccc3cnccc3c2)c1.COc1cccc(CNCC(=O)Cc2ccc3cnccc3c2)c1.O=C(CNC1CCCCC1)Cc1ccc2ccccc2c1.O=C(CNCc1cccc(F)c1)Cc1ccc2cnccc2c1.O=C(CNCc1cccc(OC(F)(F)F)c1)Cc1ccc2cnccc2c1.O=C(CNCc1ccccc1)Cc1ccc2cnccc2c1
InChIInChI=1S/2C21H20N2O3.C20H17F3N2O2.C20H20N2O2.C19H17FN2O.C19H18N2O.C19H23NO/c1-15(24)26-21-6-3-16(4-7-21)12-23-14-20(25)11-17-2-5-19-13-22-9-8-18(19)10-17;1-15(24)26-21-4-2-3-17(11-21)12-23-14-20(25)10-16-5-6-19-13-22-8-7-18(19)9-16;21-20(22,23)27-19-3-1-2-15(10-19)11-25-13-18(26)9-14-4-5-17-12-24-7-6-16(17)8-14;1-24-20-4-2-3-16(11-20)12-22-14-19(23)10-15-5-6-18-13-21-8-7-17(18)9-15;20-18-3-1-2-15(9-18)11-22-13-19(23)10-14-4-5-17-12-21-7-6-16(17)8-14;22-19(14-21-12-15-4-2-1-3-5-15)11-16-6-7-18-13-20-9-8-17(18)10-16;21-19(14-20-18-8-2-1-3-9-18)13-15-10-11-16-6-4-5-7-17(16)12-15/h2-10,13,23H,11-12,14H2,1H3;2-9,11,13,23H,10,12,14H2,1H3;1-8,10,12,25H,9,11,13H2;2-9,11,13,22H,10,12,14H2,1H3;1-9,12,22H,10-11,13H2;1-10,13,21H,11-12,14H2;4-7,10-12,18,20H,1-3,8-9,13-14H2
InChIKeyOGWYEGLZQFLPSI-UHFFFAOYSA-N
XLogP23.59
TPSA352.10 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds45
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002271.68
LogP ≤ 523.59
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 1-(benzylamino)-3-isoquinolin-6-ylpropan-2-one;1-(cyclohexylamino)-3-naphthalen-2-ylpropan-2-one;1-[(3-fluorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one;1-isoquinolin-6-yl-3-[(3-methoxyphenyl)methylamino]propan-2-one;[3-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;[4-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;1-isoquinolin-6-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-one with MolForge

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Related Compounds

2-O-tert-butyl 1-O-methyl (1R)-6-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate;2-O-tert-butyl 1-O-methyl (1R)-6-[(2-methyl-3-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate;2-O-tert-butyl 1-O-methyl (1R)-6-[[4-methyl-3-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate
CID 91193460
5-[2-[3-(1,1-difluoroethyl)-5-fluorophenoxy]ethyl]-N-(2-methylbutyl)pyridine-2-carboxamide;5-[[2-(1,1-difluoroethyl)phenyl]methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[2-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[(3-fluoro-4-methylphenyl)methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[2-[3-fluoro-5-(trifluoromethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 157907869
3-[2-[(1S)-6-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl]ethyl]pyridine-4-carboxylic acid
CID 158679931
3-[2-[(1S)-6-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl]ethyl]pyridine-4-carboxylic acid
CID 158766464
carbon dioxide;1-(cyclohexylamino)-3-isoquinolin-6-ylpropan-2-one;1-[(3-fluorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one;1-isoquinolin-6-yl-3-[(3-methoxyphenyl)methylamino]propan-2-one;1-isoquinolin-6-yl-3-[(4-methylphenyl)methylamino]propan-2-one;[3-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;(E)-1-isoquinolin-6-yl-4-[4-(1-phenylcyclopropanecarbonyl)phenyl]but-3-en-2-one;(E)-N-isoquinolin-6-yl-3-[4-(2-phenylprop-2-enoyl)phenyl]prop-2-enamide;1-isoquinolin-6-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-one
CID 159344068
7-(3,5-Difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-ethoxyphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methoxy-4-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;2-(2-methyl-4-pyridinyl)-7-[4-methyl-2-(trifluoromethyl)phenyl]-3,5-dihydro-1-benzazepin-4-one
CID 159730844
methyl 1-[4-(trifluoromethyl)phenoxy]isoquinoline-6-carboxylate;propan-2-amine;N-propan-2-yl-1-[4-(trifluoromethyl)phenoxy]isoquinoline-6-carboxamide;1-[4-(trifluoromethyl)phenoxy]isoquinoline-6-carboxylic acid
CID 160738411
methyl (2S)-3-[8-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]quinolin-5-yl]-2-[(2,6-difluorobenzoyl)amino]propanoate;methyl (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[8-[5,6-dimethyl-3-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]propanoate;methyl (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[8-[4-fluoro-2-methoxy-6-(trifluoromethyl)phenyl]quinolin-5-yl]propanoate;methyl (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[8-(3-methoxynaphthalen-2-yl)quinolin-5-yl]propanoate;methyl (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)quinolin-5-yl]propanoate
CID 161212074
2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(2-hydroxy-1-pyridin-3-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 161313516
3-[2-[(1S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl]ethyl]pyridine-4-carboxylic acid
CID 162049074
2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 167661342
[4-(3-Methyl-2-pyridinyl)phenyl] 3-[2-[4-[5-[2-[4-[2-[3-benzo[h]quinolin-8-yloxycarbonyl-5-[2-(4-quinolin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]quinolin-5-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]benzoate
CID 126638764

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-3-isoquinolin-6-ylpropan-2-one;1-(cyclohexylamino)-3-naphthalen-2-ylpropan-2-one;1-[(3-fluorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one;1-isoquinolin-6-yl-3-[(3-methoxyphenyl)methylamino]propan-2-one;[3-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;[4-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;1-isoquinolin-6-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-one?
The IUPAC name of 1-(benzylamino)-3-isoquinolin-6-ylpropan-2-one;1-(cyclohexylamino)-3-naphthalen-2-ylpropan-2-one;1-[(3-fluorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one;1-isoquinolin-6-yl-3-[(3-methoxyphenyl)methylamino]propan-2-one;[3-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;[4-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;1-isoquinolin-6-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-one (CID 159990575) is 1-(benzylamino)-3-isoquinolin-6-ylpropan-2-one;1-(cyclohexylamino)-3-naphthalen-2-ylpropan-2-one;1-[(3-fluorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one;1-isoquinolin-6-yl-3-[(3-methoxyphenyl)methylamino]propan-2-one;[3-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;[4-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;1-isoquinolin-6-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-one.
What is the SMILES notation for 1-(benzylamino)-3-isoquinolin-6-ylpropan-2-one;1-(cyclohexylamino)-3-naphthalen-2-ylpropan-2-one;1-[(3-fluorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one;1-isoquinolin-6-yl-3-[(3-methoxyphenyl)methylamino]propan-2-one;[3-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;[4-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;1-isoquinolin-6-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-one?
The canonical SMILES for 1-(benzylamino)-3-isoquinolin-6-ylpropan-2-one;1-(cyclohexylamino)-3-naphthalen-2-ylpropan-2-one;1-[(3-fluorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one;1-isoquinolin-6-yl-3-[(3-methoxyphenyl)methylamino]propan-2-one;[3-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;[4-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;1-isoquinolin-6-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-one is CC(=O)Oc1ccc(CNCC(=O)Cc2ccc3cnccc3c2)cc1.CC(=O)Oc1cccc(CNCC(=O)Cc2ccc3cnccc3c2)c1.COc1cccc(CNCC(=O)Cc2ccc3cnccc3c2)c1.O=C(CNC1CCCCC1)Cc1ccc2ccccc2c1.O=C(CNCc1cccc(F)c1)Cc1ccc2cnccc2c1.O=C(CNCc1cccc(OC(F)(F)F)c1)Cc1ccc2cnccc2c1.O=C(CNCc1ccccc1)Cc1ccc2cnccc2c1.
What is the InChIKey of 1-(benzylamino)-3-isoquinolin-6-ylpropan-2-one;1-(cyclohexylamino)-3-naphthalen-2-ylpropan-2-one;1-[(3-fluorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one;1-isoquinolin-6-yl-3-[(3-methoxyphenyl)methylamino]propan-2-one;[3-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;[4-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;1-isoquinolin-6-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-one?
The InChIKey is OGWYEGLZQFLPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20N2O3.C20H17F3N2O2.C20H20N2O2.C19H17FN2O.C19H18N2O.C19H23NO/c1-15(24)26-21-6-3-16(4-7-21)12-23-14-20(25)11-17-2-5-19-13-22-9-8-18(19)10-17;1-15(24)26-21-4-2-3-17(11-21)12-23-14-20(25)10-16-5-6-19-13-22-8-7-18(19)9-16;21-20(22,23)27-19-3-1-2-15(10-19)11-25-13-18(26)9-14-4-5-17-12-24-7-6-16(17)8-14;1-24-20-4-2-3-16(11-20)12-22-14-19(23)10-15-5-6-18-13-21-8-7-17(18)9-15;20-18-3-1-2-15(9-18)11-22-13-19(23)10-14-4-5-17-12-21-7-6-16(17)8-14;22-19(14-21-12-15-4-2-1-3-5-15)11-16-6-7-18-13-20-9-8-17(18)10-16;21-19(14-20-18-8-2-1-3-9-18)13-15-10-11-16-6-4-5-7-17(16)12-15/h2-10,13,23H,11-12,14H2,1H3;2-9,11,13,23H,10,12,14H2,1H3;1-8,10,12,25H,9,11,13H2;2-9,11,13,22H,10,12,14H2,1H3;1-9,12,22H,10-11,13H2;1-10,13,21H,11-12,14H2;4-7,10-12,18,20H,1-3,8-9,13-14H2.
What are the key properties of 1-(benzylamino)-3-isoquinolin-6-ylpropan-2-one;1-(cyclohexylamino)-3-naphthalen-2-ylpropan-2-one;1-[(3-fluorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one;1-isoquinolin-6-yl-3-[(3-methoxyphenyl)methylamino]propan-2-one;[3-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;[4-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;1-isoquinolin-6-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-one?
1-(benzylamino)-3-isoquinolin-6-ylpropan-2-one;1-(cyclohexylamino)-3-naphthalen-2-ylpropan-2-one;1-[(3-fluorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one;1-isoquinolin-6-yl-3-[(3-methoxyphenyl)methylamino]propan-2-one;[3-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;[4-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;1-isoquinolin-6-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-one has a molecular weight of 2271.68 g/mol, XLogP of 23.59, 45 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-3-isoquinolin-6-ylpropan-2-one;1-(cyclohexylamino)-3-naphthalen-2-ylpropan-2-one;1-[(3-fluorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one;1-isoquinolin-6-yl-3-[(3-methoxyphenyl)methylamino]propan-2-one;[3-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;[4-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;1-isoquinolin-6-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-one is sourced from PubChem (CID 159990575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).