1-[4-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one

C137H117F12N21O8 — CID 157256339

IUPAC1-[4-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
SMILESCCC(=O)N1CCN(c2ccc(-n3c(=O)c(C)cc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1.CCC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cc7cc(O)ccc7[nH]6)cc5c43)cc2C(F)(F)F)CC1.CN(C)CCC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1.Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCN(C)CC6)c(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C37H33F3N6O2.C36H30F3N5O2.C34H28F3N5O3.C30H26F3N5O/c1-43(2)14-13-34(47)45-17-15-44(16-18-45)33-11-9-28(21-30(33)37(38,39)40)46-35(48)12-8-26-22-42-32-10-7-24(20-29(32)36(26)46)27-19-25-5-3-4-6-31(25)41-23-27;1-3-33(45)43-14-12-42(13-15-43)32-11-9-27(19-29(32)36(37,38)39)44-34-26(16-22(2)35(44)46)21-41-31-10-8-23(18-28(31)34)25-17-24-6-4-5-7-30(24)40-20-25;1-2-31(44)41-13-11-40(12-14-41)30-9-5-23(18-26(30)34(35,36)37)42-32(45)10-4-21-19-38-28-7-3-20(16-25(28)33(21)42)29-17-22-15-24(43)6-8-27(22)39-29;1-19-3-4-21(17-34-19)20-5-8-26-24(15-20)29-22(18-35-26)6-10-28(39)38(29)23-7-9-27(25(16-23)30(31,32)33)37-13-11-36(2)12-14-37/h3-12,19-23H,13-18H2,1-2H3;4-11,16-21H,3,12-15H2,1-2H3;3-10,15-19,39,43H,2,11-14H2,1H3;3-10,15-18H,11-14H2,1-2H3
InChIKeyAWXZBPPOKQSZAJ-UHFFFAOYSA-N
MW2413.56 g/mol
LogP25.66
Rot. Bonds17

About 1-[4-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one

1-[4-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one (PubChem CID 157256339) has the molecular formula C137H117F12N21O8 and a molecular weight of 2413.56 g/mol. Its IUPAC name is 1-[4-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Name1-[4-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
PubChem CID157256339
Molecular FormulaC137H117F12N21O8
Molecular Weight2413.56 g/mol
Exact Mass2411.92
IUPAC Name1-[4-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
SMILESCCC(=O)N1CCN(c2ccc(-n3c(=O)c(C)cc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1.CCC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cc7cc(O)ccc7[nH]6)cc5c43)cc2C(F)(F)F)CC1.CN(C)CCC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1.Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCN(C)CC6)c(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C37H33F3N6O2.C36H30F3N5O2.C34H28F3N5O3.C30H26F3N5O/c1-43(2)14-13-34(47)45-17-15-44(16-18-45)33-11-9-28(21-30(33)37(38,39)40)46-35(48)12-8-26-22-42-32-10-7-24(20-29(32)36(26)46)27-19-25-5-3-4-6-31(25)41-23-27;1-3-33(45)43-14-12-42(13-15-43)32-11-9-27(19-29(32)36(37,38)39)44-34-26(16-22(2)35(44)46)21-41-31-10-8-23(18-28(31)34)25-17-24-6-4-5-7-30(24)40-20-25;1-2-31(44)41-13-11-40(12-14-41)30-9-5-23(18-26(30)34(35,36)37)42-32(45)10-4-21-19-38-28-7-3-20(16-25(28)33(21)42)29-17-22-15-24(43)6-8-27(22)39-29;1-19-3-4-21(17-34-19)20-5-8-26-24(15-20)29-22(18-35-26)6-10-28(39)38(29)23-7-9-27(25(16-23)30(31,32)33)37-13-11-36(2)12-14-37/h3-12,19-23H,13-18H2,1-2H3;4-11,16-21H,3,12-15H2,1-2H3;3-10,15-19,39,43H,2,11-14H2,1H3;3-10,15-18H,11-14H2,1-2H3
InChIKeyAWXZBPPOKQSZAJ-UHFFFAOYSA-N
XLogP25.66
TPSA294.62 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002413.56
LogP ≤ 525.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-[4-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one with MolForge

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Related Compounds

9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 46190725
9-(5-hydroxy-1H-indol-2-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 69923800
9-(5-hydroxy-1H-indol-2-yl)-1-[4-[4-(1-hydroxypropyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 123629322
1-[4-(4-Butanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(3,5-dimethylphenyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-hydroxyphenyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(6-piperazin-1-yl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 158348825
1-(4-fluoro-3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-inden-2-yl)-1-(3-methyl-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 158641441
4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-[5-(3-hydroxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]piperidine-1-carbaldehyde;4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde
CID 158759381
1-(4-fluoro-3-methylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-inden-2-yl)-1-(3-methyl-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-isocyano-3-pyridinyl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 159030611
1-[4-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-1H-isoindol-5-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4H-[1,3]oxazino[5,4-c]quinolin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
CID 160335687
N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-1H-isoindol-5-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4H-[1,3]oxazino[5,4-c]quinolin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
CID 160595756
3-[2-[(1S)-1-[[2-(5,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 160775542
7H-Pyrido(4,3-c)carbazolium, 10-hydroxy-2-(2-(1-piperidinyl)ethyl)-, acetate (salt), dimer
CID 153540
2-[2-[4-[1-[2-(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol
CID 44276420

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?
The IUPAC name of 1-[4-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one (CID 157256339) is 1-[4-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one.
What is the SMILES notation for 1-[4-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?
The canonical SMILES for 1-[4-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one is CCC(=O)N1CCN(c2ccc(-n3c(=O)c(C)cc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1.CCC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cc7cc(O)ccc7[nH]6)cc5c43)cc2C(F)(F)F)CC1.CN(C)CCC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1.Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCN(C)CC6)c(C(F)(F)F)c5)c4c3c2)cn1.
What is the InChIKey of 1-[4-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?
The InChIKey is AWXZBPPOKQSZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33F3N6O2.C36H30F3N5O2.C34H28F3N5O3.C30H26F3N5O/c1-43(2)14-13-34(47)45-17-15-44(16-18-45)33-11-9-28(21-30(33)37(38,39)40)46-35(48)12-8-26-22-42-32-10-7-24(20-29(32)36(26)46)27-19-25-5-3-4-6-31(25)41-23-27;1-3-33(45)43-14-12-42(13-15-43)32-11-9-27(19-29(32)36(37,38)39)44-34-26(16-22(2)35(44)46)21-41-31-10-8-23(18-28(31)34)25-17-24-6-4-5-7-30(24)40-20-25;1-2-31(44)41-13-11-40(12-14-41)30-9-5-23(18-26(30)34(35,36)37)42-32(45)10-4-21-19-38-28-7-3-20(16-25(28)33(21)42)29-17-22-15-24(43)6-8-27(22)39-29;1-19-3-4-21(17-34-19)20-5-8-26-24(15-20)29-22(18-35-26)6-10-28(39)38(29)23-7-9-27(25(16-23)30(31,32)33)37-13-11-36(2)12-14-37/h3-12,19-23H,13-18H2,1-2H3;4-11,16-21H,3,12-15H2,1-2H3;3-10,15-19,39,43H,2,11-14H2,1H3;3-10,15-18H,11-14H2,1-2H3.
What are the key properties of 1-[4-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?
1-[4-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one has a molecular weight of 2413.56 g/mol, XLogP of 25.66, 17 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 157256339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).