5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepin-8-ol

C13H16N2O2 — CID 151854113

IUPAC5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepin-8-ol
SMILESCCC1C(C)=NN=Cc2cc(O)c(OC)cc21
InChIInChI=1S/C13H16N2O2/c1-4-10-8(2)15-14-7-9-5-12(16)13(17-3)6-11(9)10/h5-7,10,16H,4H2,1-3H3
InChIKeySJHUAUMXAVMLNI-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.70
Rot. Bonds2

About 5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepin-8-ol

5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepin-8-ol (PubChem CID 151854113) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepin-8-ol.

Molecular Properties

Compound Name5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepin-8-ol
PubChem CID151854113
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepin-8-ol
SMILESCCC1C(C)=NN=Cc2cc(O)c(OC)cc21
InChIInChI=1S/C13H16N2O2/c1-4-10-8(2)15-14-7-9-5-12(16)13(17-3)6-11(9)10/h5-7,10,16H,4H2,1-3H3
InChIKeySJHUAUMXAVMLNI-UHFFFAOYSA-N
XLogP2.70
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-methoxybenzene-1,2,4-triol
CID 20551665
3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 163922079
tris(propan-2-one);(2R,8R,14R,20R)-2,8,14,20-tetraethyl-6,12,18,24-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-4,10,16,22-tetrol
CID 139194397
1-ethyl-6-methoxy-2,2,3,3-tetramethyl-1H-inden-5-ol
CID 134982448
1,3-bis(ethylsulfanyl)-6-methoxy-2,3-dihydro-1H-inden-5-ol
CID 101208290
2-methoxy-5-propylbenzene-1,4-diol
CID 5314475
(1S)-3-ethoxy-6-methoxy-1-methyl-1H-inden-5-ol
CID 130220437
(1R)-1-amino-6-methoxy-2,3-dihydro-1H-inden-5-ol
CID 130688462
4-iodo-2,5-dimethoxyphenol
CID 10850321
ethyl 6-hydroxy-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-carboxylate
CID 123874782
4-(hydroxymethyl)-2-methoxy-5-methylphenol
CID 15340173

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepin-8-ol?
The IUPAC name of 5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepin-8-ol (CID 151854113) is 5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepin-8-ol.
What is the SMILES notation for 5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepin-8-ol?
The canonical SMILES for 5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepin-8-ol is CCC1C(C)=NN=Cc2cc(O)c(OC)cc21.
What is the InChIKey of 5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepin-8-ol?
The InChIKey is SJHUAUMXAVMLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-10-8(2)15-14-7-9-5-12(16)13(17-3)6-11(9)10/h5-7,10,16H,4H2,1-3H3.
What are the key properties of 5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepin-8-ol?
5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepin-8-ol has a molecular weight of 232.28 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-methoxy-4-methyl-5H-2,3-benzodiazepin-8-ol is sourced from PubChem (CID 151854113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).