1-(3-fluorophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine

C18H17FN2O2 — CID 15587246

IUPAC1-(3-fluorophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
SMILESCOc1cc2c(cc1OC)C(c1cccc(F)c1)=NN=C(C)C2
InChIInChI=1S/C18H17FN2O2/c1-11-7-13-9-16(22-2)17(23-3)10-15(13)18(21-20-11)12-5-4-6-14(19)8-12/h4-6,8-10H,7H2,1-3H3
InChIKeyNLWAZOPOYVPSLG-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.61
Rot. Bonds3

About 1-(3-fluorophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine

1-(3-fluorophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine (PubChem CID 15587246) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
PubChem CID15587246
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name1-(3-fluorophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
SMILESCOc1cc2c(cc1OC)C(c1cccc(F)c1)=NN=C(C)C2
InChIInChI=1S/C18H17FN2O2/c1-11-7-13-9-16(22-2)17(23-3)10-15(13)18(21-20-11)12-5-4-6-14(19)8-12/h4-6,8-10H,7H2,1-3H3
InChIKeyNLWAZOPOYVPSLG-UHFFFAOYSA-N
XLogP3.61
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7,8-dimethoxy-4-methyl-1-thiophen-2-yl-5H-2,3-benzodiazepine
CID 15587287
5-ethyl-1-(3-fluorophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
CID 15587247
7,8-dimethoxy-4-(4-methylphenyl)-1-phenyl-5H-2,3-benzodiazepine
CID 70081746
1-benzyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
CID 15587283
7,8-dimethoxy-N,N-dimethyl-1-phenyl-5H-2,3-benzodiazepin-4-amine
CID 70081843
1-(4-bromophenyl)-4-chloro-7,8-dimethoxy-5H-2,3-benzodiazepine
CID 118320352
4-(3-fluorophenyl)-2-methoxy-5-methylaniline
CID 171037302
1-[2-(2-bromophenyl)ethenyl]-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
CID 54425390
(2S)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 39313040
(2R)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 39313037
1-(4-bromophenyl)-4-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine
CID 118237460
3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene
CID 118149747

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine?
The IUPAC name of 1-(3-fluorophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine (CID 15587246) is 1-(3-fluorophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine.
What is the SMILES notation for 1-(3-fluorophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine?
The canonical SMILES for 1-(3-fluorophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine is COc1cc2c(cc1OC)C(c1cccc(F)c1)=NN=C(C)C2.
What is the InChIKey of 1-(3-fluorophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine?
The InChIKey is NLWAZOPOYVPSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-11-7-13-9-16(22-2)17(23-3)10-15(13)18(21-20-11)12-5-4-6-14(19)8-12/h4-6,8-10H,7H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine?
1-(3-fluorophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine has a molecular weight of 312.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine is sourced from PubChem (CID 15587246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).