7,8-dimethoxy-5-(6-methoxynaphthalen-2-yl)-1-methyl-3H-1,4-benzodiazepin-2-one;5-(1H-indol-2-yl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one

C43H41N5O7 — CID 157466225

IUPAC7,8-dimethoxy-5-(6-methoxynaphthalen-2-yl)-1-methyl-3H-1,4-benzodiazepin-2-one;5-(1H-indol-2-yl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one
SMILESCOc1cc2c(cc1OC)N(C)C(=O)CN=C2c1cc2ccccc2[nH]1.COc1ccc2cc(C3=NCC(=O)N(C)c4cc(OC)c(OC)cc43)ccc2c1
InChIInChI=1S/C23H22N2O4.C20H19N3O3/c1-25-19-12-21(29-4)20(28-3)11-18(19)23(24-13-22(25)26)16-6-5-15-10-17(27-2)8-7-14(15)9-16;1-23-16-10-18(26-3)17(25-2)9-13(16)20(21-11-19(23)24)15-8-12-6-4-5-7-14(12)22-15/h5-12H,13H2,1-4H3;4-10,22H,11H2,1-3H3
InChIKeyBUMYJRWOEZGKML-UHFFFAOYSA-N
MW739.83 g/mol
LogP6.68
Rot. Bonds7

About 7,8-dimethoxy-5-(6-methoxynaphthalen-2-yl)-1-methyl-3H-1,4-benzodiazepin-2-one;5-(1H-indol-2-yl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one

7,8-dimethoxy-5-(6-methoxynaphthalen-2-yl)-1-methyl-3H-1,4-benzodiazepin-2-one;5-(1H-indol-2-yl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one (PubChem CID 157466225) has the molecular formula C43H41N5O7 and a molecular weight of 739.83 g/mol. Its IUPAC name is 7,8-dimethoxy-5-(6-methoxynaphthalen-2-yl)-1-methyl-3H-1,4-benzodiazepin-2-one;5-(1H-indol-2-yl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7,8-dimethoxy-5-(6-methoxynaphthalen-2-yl)-1-methyl-3H-1,4-benzodiazepin-2-one;5-(1H-indol-2-yl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one
PubChem CID157466225
Molecular FormulaC43H41N5O7
Molecular Weight739.83 g/mol
Exact Mass739.30
IUPAC Name7,8-dimethoxy-5-(6-methoxynaphthalen-2-yl)-1-methyl-3H-1,4-benzodiazepin-2-one;5-(1H-indol-2-yl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one
SMILESCOc1cc2c(cc1OC)N(C)C(=O)CN=C2c1cc2ccccc2[nH]1.COc1ccc2cc(C3=NCC(=O)N(C)c4cc(OC)c(OC)cc43)ccc2c1
InChIInChI=1S/C23H22N2O4.C20H19N3O3/c1-25-19-12-21(29-4)20(28-3)11-18(19)23(24-13-22(25)26)16-6-5-15-10-17(27-2)8-7-14(15)9-16;1-23-16-10-18(26-3)17(25-2)9-13(16)20(21-11-19(23)24)15-8-12-6-4-5-7-14(12)22-15/h5-12H,13H2,1-4H3;4-10,22H,11H2,1-3H3
InChIKeyBUMYJRWOEZGKML-UHFFFAOYSA-N
XLogP6.68
TPSA127.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.83
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7,8-dimethoxy-5-(6-methoxynaphthalen-2-yl)-1-methyl-3H-1,4-benzodiazepin-2-one;5-(1H-indol-2-yl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one with MolForge

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Related Compounds

7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 58983041
3-[8-methoxy-7-(4-methoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile
CID 11246900
5-[3-(hydroxymethyl)phenyl]-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one
CID 69154835
7,8-dimethoxy-1-methyl-5-(3-nitrophenyl)-3H-1,4-benzodiazepin-2-one
CID 10066769
2-(2,5-dimethoxyphenyl)-1H-indole
CID 4714964
5-[3,5-bis(trifluoromethyl)phenyl]-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one
CID 87843112
3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile
CID 11246008
3-[7-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide
CID 11441786
N-benzyl-3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide
CID 10072103
3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide
CID 10448865
tert-butyl N-[3-[3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)phenyl]propyl]carbamate
CID 69155651
3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide
CID 11430620

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-5-(6-methoxynaphthalen-2-yl)-1-methyl-3H-1,4-benzodiazepin-2-one;5-(1H-indol-2-yl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 7,8-dimethoxy-5-(6-methoxynaphthalen-2-yl)-1-methyl-3H-1,4-benzodiazepin-2-one;5-(1H-indol-2-yl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one (CID 157466225) is 7,8-dimethoxy-5-(6-methoxynaphthalen-2-yl)-1-methyl-3H-1,4-benzodiazepin-2-one;5-(1H-indol-2-yl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7,8-dimethoxy-5-(6-methoxynaphthalen-2-yl)-1-methyl-3H-1,4-benzodiazepin-2-one;5-(1H-indol-2-yl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7,8-dimethoxy-5-(6-methoxynaphthalen-2-yl)-1-methyl-3H-1,4-benzodiazepin-2-one;5-(1H-indol-2-yl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one is COc1cc2c(cc1OC)N(C)C(=O)CN=C2c1cc2ccccc2[nH]1.COc1ccc2cc(C3=NCC(=O)N(C)c4cc(OC)c(OC)cc43)ccc2c1.
What is the InChIKey of 7,8-dimethoxy-5-(6-methoxynaphthalen-2-yl)-1-methyl-3H-1,4-benzodiazepin-2-one;5-(1H-indol-2-yl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one?
The InChIKey is BUMYJRWOEZGKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4.C20H19N3O3/c1-25-19-12-21(29-4)20(28-3)11-18(19)23(24-13-22(25)26)16-6-5-15-10-17(27-2)8-7-14(15)9-16;1-23-16-10-18(26-3)17(25-2)9-13(16)20(21-11-19(23)24)15-8-12-6-4-5-7-14(12)22-15/h5-12H,13H2,1-4H3;4-10,22H,11H2,1-3H3.
What are the key properties of 7,8-dimethoxy-5-(6-methoxynaphthalen-2-yl)-1-methyl-3H-1,4-benzodiazepin-2-one;5-(1H-indol-2-yl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one?
7,8-dimethoxy-5-(6-methoxynaphthalen-2-yl)-1-methyl-3H-1,4-benzodiazepin-2-one;5-(1H-indol-2-yl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one has a molecular weight of 739.83 g/mol, XLogP of 6.68, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-5-(6-methoxynaphthalen-2-yl)-1-methyl-3H-1,4-benzodiazepin-2-one;5-(1H-indol-2-yl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 157466225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).