6-(4-methylphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine

C19H15N3 — CID 135626376

IUPAC6-(4-methylphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine
SMILESCc1ccc(C2=Nc3cccnc3Nc3ccccc32)cc1
InChIInChI=1S/C19H15N3/c1-13-8-10-14(11-9-13)18-15-5-2-3-6-16(15)22-19-17(21-18)7-4-12-20-19/h2-12H,1H3,(H,20,22)
InChIKeyKUORZWTVGDBHBR-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.62
Rot. Bonds1

About 6-(4-methylphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine

6-(4-methylphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine (PubChem CID 135626376) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-(4-methylphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine.

Molecular Properties

Compound Name6-(4-methylphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine
PubChem CID135626376
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name6-(4-methylphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine
SMILESCc1ccc(C2=Nc3cccnc3Nc3ccccc32)cc1
InChIInChI=1S/C19H15N3/c1-13-8-10-14(11-9-13)18-15-5-2-3-6-16(15)22-19-17(21-18)7-4-12-20-19/h2-12H,1H3,(H,20,22)
InChIKeyKUORZWTVGDBHBR-UHFFFAOYSA-N
XLogP4.62
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine?
The IUPAC name of 6-(4-methylphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine (CID 135626376) is 6-(4-methylphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine.
What is the SMILES notation for 6-(4-methylphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine?
The canonical SMILES for 6-(4-methylphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine is Cc1ccc(C2=Nc3cccnc3Nc3ccccc32)cc1.
What is the InChIKey of 6-(4-methylphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine?
The InChIKey is KUORZWTVGDBHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-13-8-10-14(11-9-13)18-15-5-2-3-6-16(15)22-19-17(21-18)7-4-12-20-19/h2-12H,1H3,(H,20,22).
What are the key properties of 6-(4-methylphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine?
6-(4-methylphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine has a molecular weight of 285.35 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-11H-pyrido[2,3-b][1,4]benzodiazepine is sourced from PubChem (CID 135626376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).