3-amino-2-chloro-9-ethyl-5,6-dihydrobenzo[d][2]benzazepin-7-one;9-(dimethylamino)-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;9-(dimethylamino)-3-methoxy-6-methyl-7H-benzo[d][2]benzazepin-5-one;9-ethyl-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;2-fluoro-3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one;3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one

C100H99ClFN9O11 — CID 167679202

IUPAC3-amino-2-chloro-9-ethyl-5,6-dihydrobenzo[d][2]benzazepin-7-one;9-(dimethylamino)-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;9-(dimethylamino)-3-methoxy-6-methyl-7H-benzo[d][2]benzazepin-5-one;9-ethyl-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;2-fluoro-3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one;3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one
SMILESCCc1ccc2c(c1)C(=O)NCc1cc(N)c(Cl)cc1-2.CCc1ccc2c(c1)CNC(=O)c1cc(OC)ccc1-2.COc1cc2c(cc1F)-c1ccc(C)cc1CNC2=O.COc1ccc2c(c1)C(=O)N(C)Cc1cc(N(C)C)ccc1-2.COc1ccc2c(c1)C(=O)NCc1cc(C)ccc1-2.COc1ccc2c(c1)C(=O)NCc1cc(N(C)C)ccc1-2
InChIInChI=1S/C18H20N2O2.C17H18N2O2.C17H17NO2.C16H15ClN2O.C16H14FNO2.C16H15NO2/c1-19(2)13-5-7-15-12(9-13)11-20(3)18(21)17-10-14(22-4)6-8-16(15)17;1-19(2)12-4-6-14-11(8-12)10-18-17(20)16-9-13(21-3)5-7-15(14)16;1-3-11-4-6-14-12(8-11)10-18-17(19)16-9-13(20-2)5-7-15(14)16;1-2-9-3-4-11-12-7-14(17)15(18)6-10(12)8-19-16(20)13(11)5-9;1-9-3-4-11-10(5-9)8-18-16(19)13-7-15(20-2)14(17)6-12(11)13;1-10-3-5-13-11(7-10)9-17-16(18)15-8-12(19-2)4-6-14(13)15/h5-10H,11H2,1-4H3;4-9H,10H2,1-3H3,(H,18,20);4-9H,3,10H2,1-2H3,(H,18,19);3-7H,2,8,18H2,1H3,(H,19,20);3-7H,8H2,1-2H3,(H,18,19);3-8H,9H2,1-2H3,(H,17,18)
InChIKeyVGQKALAJXHXCAG-UHFFFAOYSA-N
MW1657.39 g/mol
LogP18.22
Rot. Bonds9

About 3-amino-2-chloro-9-ethyl-5,6-dihydrobenzo[d][2]benzazepin-7-one;9-(dimethylamino)-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;9-(dimethylamino)-3-methoxy-6-methyl-7H-benzo[d][2]benzazepin-5-one;9-ethyl-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;2-fluoro-3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one;3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one

3-amino-2-chloro-9-ethyl-5,6-dihydrobenzo[d][2]benzazepin-7-one;9-(dimethylamino)-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;9-(dimethylamino)-3-methoxy-6-methyl-7H-benzo[d][2]benzazepin-5-one;9-ethyl-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;2-fluoro-3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one;3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one (PubChem CID 167679202) has the molecular formula C100H99ClFN9O11 and a molecular weight of 1657.39 g/mol. Its IUPAC name is 3-amino-2-chloro-9-ethyl-5,6-dihydrobenzo[d][2]benzazepin-7-one;9-(dimethylamino)-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;9-(dimethylamino)-3-methoxy-6-methyl-7H-benzo[d][2]benzazepin-5-one;9-ethyl-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;2-fluoro-3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one;3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one.

Molecular Properties

Compound Name3-amino-2-chloro-9-ethyl-5,6-dihydrobenzo[d][2]benzazepin-7-one;9-(dimethylamino)-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;9-(dimethylamino)-3-methoxy-6-methyl-7H-benzo[d][2]benzazepin-5-one;9-ethyl-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;2-fluoro-3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one;3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one
PubChem CID167679202
Molecular FormulaC100H99ClFN9O11
Molecular Weight1657.39 g/mol
Exact Mass1655.71
IUPAC Name3-amino-2-chloro-9-ethyl-5,6-dihydrobenzo[d][2]benzazepin-7-one;9-(dimethylamino)-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;9-(dimethylamino)-3-methoxy-6-methyl-7H-benzo[d][2]benzazepin-5-one;9-ethyl-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;2-fluoro-3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one;3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one
SMILESCCc1ccc2c(c1)C(=O)NCc1cc(N)c(Cl)cc1-2.CCc1ccc2c(c1)CNC(=O)c1cc(OC)ccc1-2.COc1cc2c(cc1F)-c1ccc(C)cc1CNC2=O.COc1ccc2c(c1)C(=O)N(C)Cc1cc(N(C)C)ccc1-2.COc1ccc2c(c1)C(=O)NCc1cc(C)ccc1-2.COc1ccc2c(c1)C(=O)NCc1cc(N(C)C)ccc1-2
InChIInChI=1S/C18H20N2O2.C17H18N2O2.C17H17NO2.C16H15ClN2O.C16H14FNO2.C16H15NO2/c1-19(2)13-5-7-15-12(9-13)11-20(3)18(21)17-10-14(22-4)6-8-16(15)17;1-19(2)12-4-6-14-11(8-12)10-18-17(20)16-9-13(21-3)5-7-15(14)16;1-3-11-4-6-14-12(8-11)10-18-17(19)16-9-13(20-2)5-7-15(14)16;1-2-9-3-4-11-12-7-14(17)15(18)6-10(12)8-19-16(20)13(11)5-9;1-9-3-4-11-10(5-9)8-18-16(19)13-7-15(20-2)14(17)6-12(11)13;1-10-3-5-13-11(7-10)9-17-16(18)15-8-12(19-2)4-6-14(13)15/h5-10H,11H2,1-4H3;4-9H,10H2,1-3H3,(H,18,20);4-9H,3,10H2,1-2H3,(H,18,19);3-7H,2,8,18H2,1H3,(H,19,20);3-7H,8H2,1-2H3,(H,18,19);3-8H,9H2,1-2H3,(H,17,18)
InChIKeyVGQKALAJXHXCAG-UHFFFAOYSA-N
XLogP18.22
TPSA244.46 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001657.39
LogP ≤ 518.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 3-amino-2-chloro-9-ethyl-5,6-dihydrobenzo[d][2]benzazepin-7-one;9-(dimethylamino)-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;9-(dimethylamino)-3-methoxy-6-methyl-7H-benzo[d][2]benzazepin-5-one;9-ethyl-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;2-fluoro-3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one;3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one with MolForge

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Related Compounds

3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one
CID 167573270
2,5-dimethylisoindole-1,3-dione;2,5-dimethyl-3H-isoindol-1-one
CID 142859605
2-chloro-4-[5-[[4-(dimethylamino)phenyl]methyl]-1H-1,2,4-triazol-3-yl]-5-methoxyaniline
CID 82568920
5-amino-2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;5-chloro-2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;6-(diethylamino)-2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;5,6-dimethoxy-2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;6-[(dimethylamino)methyl]-2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;6-ethyl-2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;6-(methoxymethyl)-2-(4-propan-2-ylphenyl)-3H-isoindol-1-one;6-methoxy-2-(4-pentan-2-ylphenyl)-3H-isoindol-1-one;5-methoxy-2-(4-propan-2-ylphenyl)-3H-isoindol-1-one
CID 159659712
2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline
CID 63598602
2-methyl-5-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-2,3-dihydroisoindol-1-one
CID 165015366
6-(dimethylamino)-2,3-dihydroisoindol-1-one
CID 50941193
6-(4-amino-2-chlorophenoxy)-2-methyl-3H-isoindol-1-one
CID 68660881
1-(4-ethyl-2-methoxyphenoxy)-2-fluoro-4-methylbenzene
CID 143582804
5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline
CID 55215693
5-[ethyl-[2-(methylamino)ethyl]amino]-2,3-dihydroisoindol-1-one
CID 162438812
5-ethyl-1,2-difluoro-3-(4-methoxy-2-methylphenyl)benzene
CID 123315633

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-9-ethyl-5,6-dihydrobenzo[d][2]benzazepin-7-one;9-(dimethylamino)-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;9-(dimethylamino)-3-methoxy-6-methyl-7H-benzo[d][2]benzazepin-5-one;9-ethyl-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;2-fluoro-3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one;3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one?
The IUPAC name of 3-amino-2-chloro-9-ethyl-5,6-dihydrobenzo[d][2]benzazepin-7-one;9-(dimethylamino)-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;9-(dimethylamino)-3-methoxy-6-methyl-7H-benzo[d][2]benzazepin-5-one;9-ethyl-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;2-fluoro-3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one;3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one (CID 167679202) is 3-amino-2-chloro-9-ethyl-5,6-dihydrobenzo[d][2]benzazepin-7-one;9-(dimethylamino)-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;9-(dimethylamino)-3-methoxy-6-methyl-7H-benzo[d][2]benzazepin-5-one;9-ethyl-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;2-fluoro-3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one;3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one.
What is the SMILES notation for 3-amino-2-chloro-9-ethyl-5,6-dihydrobenzo[d][2]benzazepin-7-one;9-(dimethylamino)-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;9-(dimethylamino)-3-methoxy-6-methyl-7H-benzo[d][2]benzazepin-5-one;9-ethyl-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;2-fluoro-3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one;3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one?
The canonical SMILES for 3-amino-2-chloro-9-ethyl-5,6-dihydrobenzo[d][2]benzazepin-7-one;9-(dimethylamino)-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;9-(dimethylamino)-3-methoxy-6-methyl-7H-benzo[d][2]benzazepin-5-one;9-ethyl-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;2-fluoro-3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one;3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one is CCc1ccc2c(c1)C(=O)NCc1cc(N)c(Cl)cc1-2.CCc1ccc2c(c1)CNC(=O)c1cc(OC)ccc1-2.COc1cc2c(cc1F)-c1ccc(C)cc1CNC2=O.COc1ccc2c(c1)C(=O)N(C)Cc1cc(N(C)C)ccc1-2.COc1ccc2c(c1)C(=O)NCc1cc(C)ccc1-2.COc1ccc2c(c1)C(=O)NCc1cc(N(C)C)ccc1-2.
What is the InChIKey of 3-amino-2-chloro-9-ethyl-5,6-dihydrobenzo[d][2]benzazepin-7-one;9-(dimethylamino)-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;9-(dimethylamino)-3-methoxy-6-methyl-7H-benzo[d][2]benzazepin-5-one;9-ethyl-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;2-fluoro-3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one;3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one?
The InChIKey is VGQKALAJXHXCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2.C17H18N2O2.C17H17NO2.C16H15ClN2O.C16H14FNO2.C16H15NO2/c1-19(2)13-5-7-15-12(9-13)11-20(3)18(21)17-10-14(22-4)6-8-16(15)17;1-19(2)12-4-6-14-11(8-12)10-18-17(20)16-9-13(21-3)5-7-15(14)16;1-3-11-4-6-14-12(8-11)10-18-17(19)16-9-13(20-2)5-7-15(14)16;1-2-9-3-4-11-12-7-14(17)15(18)6-10(12)8-19-16(20)13(11)5-9;1-9-3-4-11-10(5-9)8-18-16(19)13-7-15(20-2)14(17)6-12(11)13;1-10-3-5-13-11(7-10)9-17-16(18)15-8-12(19-2)4-6-14(13)15/h5-10H,11H2,1-4H3;4-9H,10H2,1-3H3,(H,18,20);4-9H,3,10H2,1-2H3,(H,18,19);3-7H,2,8,18H2,1H3,(H,19,20);3-7H,8H2,1-2H3,(H,18,19);3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-2-chloro-9-ethyl-5,6-dihydrobenzo[d][2]benzazepin-7-one;9-(dimethylamino)-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;9-(dimethylamino)-3-methoxy-6-methyl-7H-benzo[d][2]benzazepin-5-one;9-ethyl-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;2-fluoro-3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one;3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one?
3-amino-2-chloro-9-ethyl-5,6-dihydrobenzo[d][2]benzazepin-7-one;9-(dimethylamino)-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;9-(dimethylamino)-3-methoxy-6-methyl-7H-benzo[d][2]benzazepin-5-one;9-ethyl-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;2-fluoro-3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one;3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one has a molecular weight of 1657.39 g/mol, XLogP of 18.22, 9 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-9-ethyl-5,6-dihydrobenzo[d][2]benzazepin-7-one;9-(dimethylamino)-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;9-(dimethylamino)-3-methoxy-6-methyl-7H-benzo[d][2]benzazepin-5-one;9-ethyl-3-methoxy-6,7-dihydrobenzo[d][2]benzazepin-5-one;2-fluoro-3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one;3-methoxy-9-methyl-6,7-dihydrobenzo[d][2]benzazepin-5-one is sourced from PubChem (CID 167679202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).