7-(4-chloro-2-methylphenyl)-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-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-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;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one

C138H116ClF3N12O7 — CID 160818484

IUPAC7-(4-chloro-2-methylphenyl)-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-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-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;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one
SMILESCOc1cc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)ccc1C.Cc1cc(C2=Nc3ccc(-c4ccc(Cl)cc4C)cc3CC(=O)C2)ccn1.Cc1cc(C2=Nc3ccc(-c4ccccc4)cc3CC(=O)C2)ccn1.Cc1ccc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)c(C(F)(F)F)c1.Cc1ccc2c(c1)CC(=O)CC(c1ccnc(-c3ccccc3)c1)=N2.Cc1cccc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)c1
InChIInChI=1S/C24H19F3N2O.C24H22N2O2.C23H19ClN2O.C23H20N2O.2C22H18N2O/c1-14-3-5-20(21(9-14)24(25,26)27)16-4-6-22-18(11-16)12-19(30)13-23(29-22)17-7-8-28-15(2)10-17;1-15-4-5-18(13-24(15)28-3)17-6-7-22-20(11-17)12-21(27)14-23(26-22)19-8-9-25-16(2)10-19;1-14-9-19(24)4-5-21(14)16-3-6-22-18(11-16)12-20(27)13-23(26-22)17-7-8-25-15(2)10-17;1-15-4-3-5-17(10-15)18-6-7-22-20(12-18)13-21(26)14-23(25-22)19-8-9-24-16(2)11-19;1-15-11-18(9-10-23-15)22-14-20(25)13-19-12-17(7-8-21(19)24-22)16-5-3-2-4-6-16;1-15-7-8-20-18(11-15)12-19(25)14-22(24-20)17-9-10-23-21(13-17)16-5-3-2-4-6-16/h3-11H,12-13H2,1-2H3;4-11,13H,12,14H2,1-3H3;3-11H,12-13H2,1-2H3;3-12H,13-14H2,1-2H3;2-12H,13-14H2,1H3;2-11,13H,12,14H2,1H3
InChIKeySFFKWFNYCBONCP-UHFFFAOYSA-N
MW2146.97 g/mol
LogP31.07
Rot. Bonds13

About 7-(4-chloro-2-methylphenyl)-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-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-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;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one

7-(4-chloro-2-methylphenyl)-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-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-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;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one (PubChem CID 160818484) has the molecular formula C138H116ClF3N12O7 and a molecular weight of 2146.97 g/mol. Its IUPAC name is 7-(4-chloro-2-methylphenyl)-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-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-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;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one.

Molecular Properties

Compound Name7-(4-chloro-2-methylphenyl)-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-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-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;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one
PubChem CID160818484
Molecular FormulaC138H116ClF3N12O7
Molecular Weight2146.97 g/mol
Exact Mass2144.87
IUPAC Name7-(4-chloro-2-methylphenyl)-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-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-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;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one
SMILESCOc1cc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)ccc1C.Cc1cc(C2=Nc3ccc(-c4ccc(Cl)cc4C)cc3CC(=O)C2)ccn1.Cc1cc(C2=Nc3ccc(-c4ccccc4)cc3CC(=O)C2)ccn1.Cc1ccc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)c(C(F)(F)F)c1.Cc1ccc2c(c1)CC(=O)CC(c1ccnc(-c3ccccc3)c1)=N2.Cc1cccc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)c1
InChIInChI=1S/C24H19F3N2O.C24H22N2O2.C23H19ClN2O.C23H20N2O.2C22H18N2O/c1-14-3-5-20(21(9-14)24(25,26)27)16-4-6-22-18(11-16)12-19(30)13-23(29-22)17-7-8-28-15(2)10-17;1-15-4-5-18(13-24(15)28-3)17-6-7-22-20(11-17)12-21(27)14-23(26-22)19-8-9-25-16(2)10-19;1-14-9-19(24)4-5-21(14)16-3-6-22-18(11-16)12-20(27)13-23(26-22)17-7-8-25-15(2)10-17;1-15-4-3-5-17(10-15)18-6-7-22-20(12-18)13-21(26)14-23(25-22)19-8-9-24-16(2)11-19;1-15-11-18(9-10-23-15)22-14-20(25)13-19-12-17(7-8-21(19)24-22)16-5-3-2-4-6-16;1-15-7-8-20-18(11-15)12-19(25)14-22(24-20)17-9-10-23-21(13-17)16-5-3-2-4-6-16/h3-11H,12-13H2,1-2H3;4-11,13H,12,14H2,1-3H3;3-11H,12-13H2,1-2H3;3-12H,13-14H2,1-2H3;2-12H,13-14H2,1H3;2-11,13H,12,14H2,1H3
InChIKeySFFKWFNYCBONCP-UHFFFAOYSA-N
XLogP31.07
TPSA263.15 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002146.97
LogP ≤ 531.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 7-(4-chloro-2-methylphenyl)-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-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-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;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one with MolForge

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Launch Full Analysis

Related Compounds

1-Chloro-2,3-di(propan-2-yl)benzene;6-chloro-2,3-di(propan-2-yl)pyridine;6-cyclopropyl-2,3-di(propan-2-yl)pyridine;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene
CID 157423821
7-Chloro-3-methyl-8-propan-2-ylquinoline;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);1-fluoro-2-methyl-3-propan-2-ylbenzene;bis(1-fluoro-3-methyl-2-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 158528158
CID 158718040
CID 158718040
(3S)-4-[6-(4-chloro-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one
CID 158959375
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
(3S)-4-[6-(4-chloro-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-(3-methylphenyl)-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one
CID 159971624
1-[4-(2-Chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(3-pyridin-3-ylphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-(4-pyridin-3-ylphenyl)ethanone;1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 160113477
7-(6-Bromo-3-pyridinyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-(4-chloro-2-methylphenyl)-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-phenyl-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;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one
CID 160571738
1-Chloro-2,3-di(propan-2-yl)benzene;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene
CID 160604031
CID 161031809
CID 161031809
(3S)-4-[6-(4-chloro-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one
CID 161234456
(3S)-4-[6-(4-chloro-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-4-[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-(3-methylphenyl)-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one
CID 161273630

Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-2-methylphenyl)-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-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-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;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one?
The IUPAC name of 7-(4-chloro-2-methylphenyl)-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-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-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;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one (CID 160818484) is 7-(4-chloro-2-methylphenyl)-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-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-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;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one.
What is the SMILES notation for 7-(4-chloro-2-methylphenyl)-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-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-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;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one?
The canonical SMILES for 7-(4-chloro-2-methylphenyl)-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-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-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;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one is COc1cc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)ccc1C.Cc1cc(C2=Nc3ccc(-c4ccc(Cl)cc4C)cc3CC(=O)C2)ccn1.Cc1cc(C2=Nc3ccc(-c4ccccc4)cc3CC(=O)C2)ccn1.Cc1ccc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)c(C(F)(F)F)c1.Cc1ccc2c(c1)CC(=O)CC(c1ccnc(-c3ccccc3)c1)=N2.Cc1cccc(-c2ccc3c(c2)CC(=O)CC(c2ccnc(C)c2)=N3)c1.
What is the InChIKey of 7-(4-chloro-2-methylphenyl)-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-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-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;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one?
The InChIKey is SFFKWFNYCBONCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O.C24H22N2O2.C23H19ClN2O.C23H20N2O.2C22H18N2O/c1-14-3-5-20(21(9-14)24(25,26)27)16-4-6-22-18(11-16)12-19(30)13-23(29-22)17-7-8-28-15(2)10-17;1-15-4-5-18(13-24(15)28-3)17-6-7-22-20(11-17)12-21(27)14-23(26-22)19-8-9-25-16(2)10-19;1-14-9-19(24)4-5-21(14)16-3-6-22-18(11-16)12-20(27)13-23(26-22)17-7-8-25-15(2)10-17;1-15-4-3-5-17(10-15)18-6-7-22-20(12-18)13-21(26)14-23(25-22)19-8-9-24-16(2)11-19;1-15-11-18(9-10-23-15)22-14-20(25)13-19-12-17(7-8-21(19)24-22)16-5-3-2-4-6-16;1-15-7-8-20-18(11-15)12-19(25)14-22(24-20)17-9-10-23-21(13-17)16-5-3-2-4-6-16/h3-11H,12-13H2,1-2H3;4-11,13H,12,14H2,1-3H3;3-11H,12-13H2,1-2H3;3-12H,13-14H2,1-2H3;2-12H,13-14H2,1H3;2-11,13H,12,14H2,1H3.
What are the key properties of 7-(4-chloro-2-methylphenyl)-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-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-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;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one?
7-(4-chloro-2-methylphenyl)-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-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-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;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one has a molecular weight of 2146.97 g/mol, XLogP of 31.07, 13 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-2-methylphenyl)-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-(3-methylphenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one;7-methyl-2-(2-phenyl-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;2-(2-methyl-4-pyridinyl)-7-phenyl-3,5-dihydro-1-benzazepin-4-one is sourced from PubChem (CID 160818484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).