8-ethoxy-7-methoxy-3,5-diphenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C24H22N2O3 — CID 10221752

IUPAC8-ethoxy-7-methoxy-3,5-diphenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCCOc1cc2c(cc1OC)C(c1ccccc1)=NC(c1ccccc1)C(=O)N2
InChIInChI=1S/C24H22N2O3/c1-3-29-21-15-19-18(14-20(21)28-2)22(16-10-6-4-7-11-16)26-23(24(27)25-19)17-12-8-5-9-13-17/h4-15,23H,3H2,1-2H3,(H,25,27)
InChIKeySITGILNKAQWBIB-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.62
Rot. Bonds5

About 8-ethoxy-7-methoxy-3,5-diphenyl-1,3-dihydro-1,4-benzodiazepin-2-one

8-ethoxy-7-methoxy-3,5-diphenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 10221752) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 8-ethoxy-7-methoxy-3,5-diphenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name8-ethoxy-7-methoxy-3,5-diphenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID10221752
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name8-ethoxy-7-methoxy-3,5-diphenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCCOc1cc2c(cc1OC)C(c1ccccc1)=NC(c1ccccc1)C(=O)N2
InChIInChI=1S/C24H22N2O3/c1-3-29-21-15-19-18(14-20(21)28-2)22(16-10-6-4-7-11-16)26-23(24(27)25-19)17-12-8-5-9-13-17/h4-15,23H,3H2,1-2H3,(H,25,27)
InChIKeySITGILNKAQWBIB-UHFFFAOYSA-N
XLogP4.62
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-ethoxy-1-ethyl-7-methoxy-3,5-diphenyl-3H-1,4-benzodiazepin-2-one
CID 10136533
3-(1H-indol-3-ylmethyl)-7,8-dimethoxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 10202639
5-(4-fluorophenyl)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 69455524
(3S)-3-benzyl-7,8-dimethoxy-5-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 137249377
(3S)-7-bromo-3-ethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 7223110
3-benzyl-7,8-diethoxy-1-ethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 69462376
3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide
CID 18917698
(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 685684
3-methoxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]naphthalene-2-carboxamide
CID 5279187
(3S)-3-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 26367525
3-[(2-ethoxy-3,5,6-trifluoro-4-pyridinyl)amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 122634627
7-chloro-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 67789785

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-7-methoxy-3,5-diphenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 8-ethoxy-7-methoxy-3,5-diphenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 10221752) is 8-ethoxy-7-methoxy-3,5-diphenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 8-ethoxy-7-methoxy-3,5-diphenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 8-ethoxy-7-methoxy-3,5-diphenyl-1,3-dihydro-1,4-benzodiazepin-2-one is CCOc1cc2c(cc1OC)C(c1ccccc1)=NC(c1ccccc1)C(=O)N2.
What is the InChIKey of 8-ethoxy-7-methoxy-3,5-diphenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is SITGILNKAQWBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-3-29-21-15-19-18(14-20(21)28-2)22(16-10-6-4-7-11-16)26-23(24(27)25-19)17-12-8-5-9-13-17/h4-15,23H,3H2,1-2H3,(H,25,27).
What are the key properties of 8-ethoxy-7-methoxy-3,5-diphenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
8-ethoxy-7-methoxy-3,5-diphenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 386.45 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-7-methoxy-3,5-diphenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 10221752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).