8-methoxy-6-(2-methoxyphenyl)-11-methylpyrido[2,3-b][1,4]benzodiazepine

C21H19N3O2 — CID 135007830

IUPAC8-methoxy-6-(2-methoxyphenyl)-11-methylpyrido[2,3-b][1,4]benzodiazepine
SMILESCOc1ccc2c(c1)C(c1ccccc1OC)=Nc1cccnc1N2C
InChIInChI=1S/C21H19N3O2/c1-24-18-11-10-14(25-2)13-16(18)20(15-7-4-5-9-19(15)26-3)23-17-8-6-12-22-21(17)24/h4-13H,1-3H3
InChIKeyTULGEFBXLJFRFE-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.35
Rot. Bonds3

About 8-methoxy-6-(2-methoxyphenyl)-11-methylpyrido[2,3-b][1,4]benzodiazepine

8-methoxy-6-(2-methoxyphenyl)-11-methylpyrido[2,3-b][1,4]benzodiazepine (PubChem CID 135007830) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 8-methoxy-6-(2-methoxyphenyl)-11-methylpyrido[2,3-b][1,4]benzodiazepine.

Molecular Properties

Compound Name8-methoxy-6-(2-methoxyphenyl)-11-methylpyrido[2,3-b][1,4]benzodiazepine
PubChem CID135007830
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name8-methoxy-6-(2-methoxyphenyl)-11-methylpyrido[2,3-b][1,4]benzodiazepine
SMILESCOc1ccc2c(c1)C(c1ccccc1OC)=Nc1cccnc1N2C
InChIInChI=1S/C21H19N3O2/c1-24-18-11-10-14(25-2)13-16(18)20(15-7-4-5-9-19(15)26-3)23-17-8-6-12-22-21(17)24/h4-13H,1-3H3
InChIKeyTULGEFBXLJFRFE-UHFFFAOYSA-N
XLogP4.35
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
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2-(2,5-dimethoxyphenyl)-7-methoxycyclohepta-2,4,6-trien-1-one
CID 617857
2-(2,5-dimethoxyphenyl)-1-methylimidazole
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1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
2-(2,5-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 91684021
2,5-dimethoxy-11-methylbenzo[b][1,4]benzodiazepin-6-one
CID 102364443
14-butan-2-yl-10,18-dimethoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 22085729
4-(2,5-dimethoxyphenyl)-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine
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1-[3-(2,4-dimethoxyphenyl)-2-methyl-4H-triazol-5-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine
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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-(2-methoxyphenyl)-11-methylpyrido[2,3-b][1,4]benzodiazepine?
The IUPAC name of 8-methoxy-6-(2-methoxyphenyl)-11-methylpyrido[2,3-b][1,4]benzodiazepine (CID 135007830) is 8-methoxy-6-(2-methoxyphenyl)-11-methylpyrido[2,3-b][1,4]benzodiazepine.
What is the SMILES notation for 8-methoxy-6-(2-methoxyphenyl)-11-methylpyrido[2,3-b][1,4]benzodiazepine?
The canonical SMILES for 8-methoxy-6-(2-methoxyphenyl)-11-methylpyrido[2,3-b][1,4]benzodiazepine is COc1ccc2c(c1)C(c1ccccc1OC)=Nc1cccnc1N2C.
What is the InChIKey of 8-methoxy-6-(2-methoxyphenyl)-11-methylpyrido[2,3-b][1,4]benzodiazepine?
The InChIKey is TULGEFBXLJFRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-24-18-11-10-14(25-2)13-16(18)20(15-7-4-5-9-19(15)26-3)23-17-8-6-12-22-21(17)24/h4-13H,1-3H3.
What are the key properties of 8-methoxy-6-(2-methoxyphenyl)-11-methylpyrido[2,3-b][1,4]benzodiazepine?
8-methoxy-6-(2-methoxyphenyl)-11-methylpyrido[2,3-b][1,4]benzodiazepine has a molecular weight of 345.40 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-(2-methoxyphenyl)-11-methylpyrido[2,3-b][1,4]benzodiazepine is sourced from PubChem (CID 135007830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).